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

C20H32N2O2 — CID 45209698

IUPAC7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCCC(=O)N1CCC2(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
InChIKeyHIWPUOAZYVBXQD-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.37
Rot. Bonds5

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

7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45209698) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45209698
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCCC(=O)N1CCC2(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
InChIKeyHIWPUOAZYVBXQD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one (CID 45209698) is 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one is C=CCCC(=O)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HIWPUOAZYVBXQD-UHFFFAOYSA-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.
What are the key properties of 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
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 7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45209698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).