[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium

C25H30N5O2+ — CID 172954018

IUPAC[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
SMILESN/N=C(\N=[NH2+])c1ccc(-c2ccc([C@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc1
InChIInChI=1S/C25H29N5O2/c26-28-23(29-27)20-9-5-18(6-10-20)17-3-7-19(8-4-17)21-16-25(21)11-13-30(14-12-25)24(31)22-2-1-15-32-22/h3-10,21-22,26H,1-2,11-16,27H2/p+1/b28-26?,29-23-/t21-,22-/m1/s1
InChIKeyXFNFAVOKLPCOIB-ZMFABNRZSA-O
MW432.55 g/mol
LogP2.46
Rot. Bonds4

About [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium

[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium (PubChem CID 172954018) has the molecular formula C25H30N5O2+ and a molecular weight of 432.55 g/mol. Its IUPAC name is [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium.

Molecular Properties

Compound Name[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
PubChem CID172954018
Molecular FormulaC25H30N5O2+
Molecular Weight432.55 g/mol
Exact Mass432.24
IUPAC Name[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
SMILESN/N=C(\N=[NH2+])c1ccc(-c2ccc([C@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc1
InChIInChI=1S/C25H29N5O2/c26-28-23(29-27)20-9-5-18(6-10-20)17-3-7-19(8-4-17)21-16-25(21)11-13-30(14-12-25)24(31)22-2-1-15-32-22/h3-10,21-22,26H,1-2,11-16,27H2/p+1/b28-26?,29-23-/t21-,22-/m1/s1
InChIKeyXFNFAVOKLPCOIB-ZMFABNRZSA-O
XLogP2.46
TPSA105.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium with MolForge

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Related Compounds

[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
3-fluoro-5-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471104
3-methyl-5-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471115
3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471291
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
3-chloro-4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471120
3-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-4-(trifluoromethyl)benzoic acid
CID 146471160
[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 155439334
4-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-(trifluoromethyl)benzoic acid
CID 146471201
4-chloro-3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146470961
[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471082

Frequently Asked Questions

What is the IUPAC name of [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium?
The IUPAC name of [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium (CID 172954018) is [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium.
What is the SMILES notation for [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium?
The canonical SMILES for [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium is N/N=C(\N=[NH2+])c1ccc(-c2ccc([C@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc1.
What is the InChIKey of [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium?
The InChIKey is XFNFAVOKLPCOIB-ZMFABNRZSA-O. The full InChI is InChI=1S/C25H29N5O2/c26-28-23(29-27)20-9-5-18(6-10-20)17-3-7-19(8-4-17)21-16-25(21)11-13-30(14-12-25)24(31)22-2-1-15-32-22/h3-10,21-22,26H,1-2,11-16,27H2/p+1/b28-26?,29-23-/t21-,22-/m1/s1.
What are the key properties of [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium?
[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium has a molecular weight of 432.55 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium is sourced from PubChem (CID 172954018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).