(5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one

C20H32N2O2 — CID 25294835

IUPAC(5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H32N2O2/c1-2-3-10-18(23)22-14-12-20(16-22)11-7-13-21(19(20)24)15-17-8-5-4-6-9-17/h2,17H,1,3-16H2/t20-/m0/s1
InChIKeyHIWPUOAZYVBXQD-FQEVSTJZSA-N
MW332.49 g/mol
LogP3.37
Rot. Bonds5

About (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25294835) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25294835
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H32N2O2/c1-2-3-10-18(23)22-14-12-20(16-22)11-7-13-21(19(20)24)15-17-8-5-4-6-9-17/h2,17H,1,3-16H2/t20-/m0/s1
InChIKeyHIWPUOAZYVBXQD-FQEVSTJZSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.37
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
2-(3-Butenoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45206696
7-(Cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226919
5-[(2,2-Diallyl-1-pyrrolidinyl)carbonyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone
CID 45232939
(5R)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 25294836
(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-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26314887
(5R)-7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26314888
(5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 26332876
(5S)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 26332879

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one (CID 25294835) is (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one is C=CCCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HIWPUOAZYVBXQD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-2-3-10-18(23)22-14-12-20(16-22)11-7-13-21(19(20)24)15-17-8-5-4-6-9-17/h2,17H,1,3-16H2/t20-/m0/s1.
What are the key properties of (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25294835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).