2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C20H30N2O2 — CID 45215126

IUPAC2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC1=CCCCC1)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C20H30N2O2/c23-18(13-16-5-2-1-3-6-16)22-12-10-20(15-22)9-4-11-21(19(20)24)14-17-7-8-17/h5,17H,1-4,6-15H2
InChIKeyHYGHVOKCWGHVSE-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45215126) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45215126
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC1=CCCCC1)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C20H30N2O2/c23-18(13-16-5-2-1-3-6-16)22-12-10-20(15-22)9-4-11-21(19(20)24)14-17-7-8-17/h5,17H,1-4,6-15H2
InChIKeyHYGHVOKCWGHVSE-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.13
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

(5S)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42148013
(5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42302108
(5S)-9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 129540208
(5R)-9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 129540209
9-[2-(Cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695182
(1R,5R,6S)-3,6-dimethyl-6-(4-methylpent-3-enyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 10608415
(1S,5R,6S)-3,6-dimethyl-6-(4-methylpent-3-enyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 10703539
(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25452902
(5R)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25452907
(5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 26403531
(5R)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 26403532
(5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42148014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45215126) is 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CC1=CCCCC1)N1CCC2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HYGHVOKCWGHVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-18(13-16-5-2-1-3-6-16)22-12-10-20(15-22)9-4-11-21(19(20)24)14-17-7-8-17/h5,17H,1-4,6-15H2.
What are the key properties of 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45215126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).