(8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one

C17H20F2N2O — CID 58118661

IUPAC(8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one
SMILESC=CCN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C17H20F2N2O/c1-2-7-21-15(12-8-13(18)10-14(19)9-12)11-20-17(16(21)22)5-3-4-6-17/h2,8-10,15,20H,1,3-7,11H2/t15-/m0/s1
InChIKeyNXRJNNININITPL-HNNXBMFYSA-N
MW306.36 g/mol
LogP2.94
Rot. Bonds3

About (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one

(8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one (PubChem CID 58118661) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one
PubChem CID58118661
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name(8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one
SMILESC=CCN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C17H20F2N2O/c1-2-7-21-15(12-8-13(18)10-14(19)9-12)11-20-17(16(21)22)5-3-4-6-17/h2,8-10,15,20H,1,3-7,11H2/t15-/m0/s1
InChIKeyNXRJNNININITPL-HNNXBMFYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one (CID 58118661) is (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one is C=CCN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one?
The InChIKey is NXRJNNININITPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-2-7-21-15(12-8-13(18)10-14(19)9-12)11-20-17(16(21)22)5-3-4-6-17/h2,8-10,15,20H,1,3-7,11H2/t15-/m0/s1.
What are the key properties of (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one?
(8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one has a molecular weight of 306.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 58118661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).