9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N2O3 — CID 72857269

IUPAC9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)C1CC=CCC1)CC2
InChIInChI=1S/C19H30N2O3/c1-24-14-13-21-15-19(8-7-17(21)22)9-11-20(12-10-19)18(23)16-5-3-2-4-6-16/h2-3,16H,4-15H2,1H3
InChIKeyVPINBHWLMBQEPF-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.22
Rot. Bonds4

About 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72857269) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72857269
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)C1CC=CCC1)CC2
InChIInChI=1S/C19H30N2O3/c1-24-14-13-21-15-19(8-7-17(21)22)9-11-20(12-10-19)18(23)16-5-3-2-4-6-16/h2-3,16H,4-15H2,1H3
InChIKeyVPINBHWLMBQEPF-UHFFFAOYSA-N
XLogP2.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4aS,8R,8aS)-2-butyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 24747515
Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
2-Allyl-9-(3-cyclohexen-1-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847112
N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 119034657
2-Butyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 73758328
[(1S,2S)-2-(difluoromethyl)cyclopropyl]-[4-(1-methylcyclohex-3-ene-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 138007519
4-[3-(1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-piperidinyl)propanoyl]morpholine
CID 25365428
Ethyl 4-{[6-(3-cyclohexen-1-ylmethyl)-6-azaspiro[2.5]oct-1-yl]carbonyl}-1-piperazinecarboxylate
CID 45196655
2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone
CID 45227699
3-[1-(3-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 45235465
9-(Cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896146
9-(Cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897214

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72857269) is 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)C1CC=CCC1)CC2.
What is the InChIKey of 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VPINBHWLMBQEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-24-14-13-21-15-19(8-7-17(21)22)9-11-20(12-10-19)18(23)16-5-3-2-4-6-16/h2-3,16H,4-15H2,1H3.
What are the key properties of 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohex-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72857269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).