2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H30N2O2 — CID 72870679

IUPAC2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-3-18-6-8-20(9-7-18)22(27)24-14-12-23(13-15-24)11-10-21(26)25(17-23)16-19-4-5-19/h2,6-9,19H,1,3-5,10-17H2
InChIKeyZXYIPARBJCRNRX-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.67
Rot. Bonds5

About 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72870679) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72870679
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-3-18-6-8-20(9-7-18)22(27)24-14-12-23(13-15-24)11-10-21(26)25(17-23)16-19-4-5-19/h2,6-9,19H,1,3-5,10-17H2
InChIKeyZXYIPARBJCRNRX-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667
9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680583
2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72923432
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680
2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854155
2-(cyclopropylmethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124816533
2-(cyclopropylmethyl)-9-(2-phenylmethoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72899248
2-(cyclopropylmethyl)-9-(4-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859362
2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897031
9-(3-hydroxy-4-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121278
9-(5-acetylthiophene-3-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918054
9-(4-methoxy-3-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97133808

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72870679) is 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is C=CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZXYIPARBJCRNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-18-6-8-20(9-7-18)22(27)24-14-12-23(13-15-24)11-10-21(26)25(17-23)16-19-4-5-19/h2,6-9,19H,1,3-5,10-17H2.
What are the key properties of 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72870679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).