8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one

C19H23ClN2O2 — CID 131644825

IUPAC8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCCN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C19H23ClN2O2/c1-2-11-22-17(23)8-4-9-19(22)10-5-12-21(14-19)18(24)15-6-3-7-16(20)13-15/h2-3,6-7,13H,1,4-5,8-12,14H2
InChIKeyQEOVAALVTNYMMA-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.51
Rot. Bonds3

About 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one

8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 131644825) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID131644825
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCCN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C19H23ClN2O2/c1-2-11-22-17(23)8-4-9-19(22)10-5-12-21(14-19)18(24)15-6-3-7-16(20)13-15/h2-3,6-7,13H,1,4-5,8-12,14H2
InChIKeyQEOVAALVTNYMMA-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.51
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

8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134072985
(6R)-8-(3-methoxybenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495563
(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495568
8-(1H-indole-5-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131655985
8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134070533
(6S)-8-(3-phenylpropanoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495559
(6S)-8-(5-methylpyrazine-2-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398639
N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070535
(6R)-8-[2-(4-methoxyphenyl)acetyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398658
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
(3-chlorophenyl)-(1'-prop-2-enylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone
CID 59003922
1-prop-2-enyl-8-thiophen-2-ylsulfonyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131652177

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one (CID 131644825) is 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one is C=CCN1C(=O)CCCC12CCCN(C(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is QEOVAALVTNYMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-2-11-22-17(23)8-4-9-19(22)10-5-12-21(14-19)18(24)15-6-3-7-16(20)13-15/h2-3,6-7,13H,1,4-5,8-12,14H2.
What are the key properties of 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 346.86 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 131644825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).