(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone

C21H30N2O — CID 131648719

IUPAC(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
SMILESC=CCN1CCCC12CCCN(C(=O)c1ccc(CCC)cc1)C2
InChIInChI=1S/C21H30N2O/c1-3-7-18-8-10-19(11-9-18)20(24)22-15-5-12-21(17-22)13-6-16-23(21)14-4-2/h4,8-11H,2-3,5-7,12-17H2,1H3
InChIKeyJJCQYMQOQGMTFA-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.90
Rot. Bonds5

About (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone

(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone (PubChem CID 131648719) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
PubChem CID131648719
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
SMILESC=CCN1CCCC12CCCN(C(=O)c1ccc(CCC)cc1)C2
InChIInChI=1S/C21H30N2O/c1-3-7-18-8-10-19(11-9-18)20(24)22-15-5-12-21(17-22)13-6-16-23(21)14-4-2/h4,8-11H,2-3,5-7,12-17H2,1H3
InChIKeyJJCQYMQOQGMTFA-UHFFFAOYSA-N
XLogP3.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone?
The IUPAC name of (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone (CID 131648719) is (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone.
What is the SMILES notation for (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone?
The canonical SMILES for (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone is C=CCN1CCCC12CCCN(C(=O)c1ccc(CCC)cc1)C2.
What is the InChIKey of (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone?
The InChIKey is JJCQYMQOQGMTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-3-7-18-8-10-19(11-9-18)20(24)22-15-5-12-21(17-22)13-6-16-23(21)14-4-2/h4,8-11H,2-3,5-7,12-17H2,1H3.
What are the key properties of (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone?
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone has a molecular weight of 326.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone is sourced from PubChem (CID 131648719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).