9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

C17H26N2O2 — CID 131683870

IUPAC9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCC1(C(=O)N2CCCC3(CCC(=O)N3)CC2)CC=CCC1
InChIInChI=1S/C17H26N2O2/c1-16(7-3-2-4-8-16)15(21)19-12-5-9-17(11-13-19)10-6-14(20)18-17/h2-3H,4-13H2,1H3,(H,18,20)
InChIKeyFEECDAJFNXSSGL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.39
Rot. Bonds1

About 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131683870) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131683870
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCC1(C(=O)N2CCCC3(CCC(=O)N3)CC2)CC=CCC1
InChIInChI=1S/C17H26N2O2/c1-16(7-3-2-4-8-16)15(21)19-12-5-9-17(11-13-19)10-6-14(20)18-17/h2-3H,4-13H2,1H3,(H,18,20)
InChIKeyFEECDAJFNXSSGL-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(Cyclopent-3-ene-1-carbonyl)-1-[2-(dimethylamino)ethyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 118742377
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 94665297
(5R)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393927
(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393928
(5R)-9-(cyclopent-3-ene-1-carbonyl)-1-[2-(dimethylamino)ethyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484805
(5S)-9-(cyclopent-3-ene-1-carbonyl)-1-[2-(dimethylamino)ethyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484808
9-(Cyclopent-3-ene-1-carbonyl)-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131651242
1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide
CID 155870100

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131683870) is 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is CC1(C(=O)N2CCCC3(CCC(=O)N3)CC2)CC=CCC1.
What is the InChIKey of 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is FEECDAJFNXSSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(7-3-2-4-8-16)15(21)19-12-5-9-17(11-13-19)10-6-14(20)18-17/h2-3H,4-13H2,1H3,(H,18,20).
What are the key properties of 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylcyclohex-3-ene-1-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131683870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).