(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C12H12ClNO — CID 141178418

IUPAC(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CC=CCC1
InChIInChI=1S/C12H12ClNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,4-6,9H,3,7-8H2
InChIKeyNYQYZZOQLVYEHK-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.74
Rot. Bonds1

About (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 141178418) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID141178418
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CC=CCC1
InChIInChI=1S/C12H12ClNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,4-6,9H,3,7-8H2
InChIKeyNYQYZZOQLVYEHK-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 114412273
3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
CID 141178396
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(3-chlorophenyl)-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]methanone
CID 7108846
(3-chlorophenyl)-[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]methanone
CID 7108845
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(2-chloroethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 39161623
2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115
(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407102
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 141178418) is (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CC=CCC1.
What is the InChIKey of (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is NYQYZZOQLVYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,4-6,9H,3,7-8H2.
What are the key properties of (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 221.69 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 141178418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).