(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone

C15H15ClN2O — CID 112535736

IUPAC(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
SMILESCn1ccc2c1CCN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C15H15ClN2O/c1-17-7-5-12-10-18(8-6-14(12)17)15(19)11-3-2-4-13(16)9-11/h2-5,7,9H,6,8,10H2,1H3
InChIKeyCGOFQMWQEKQWBG-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.88
Rot. Bonds1

About (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone

(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone (PubChem CID 112535736) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
PubChem CID112535736
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
SMILESCn1ccc2c1CCN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C15H15ClN2O/c1-17-7-5-12-10-18(8-6-14(12)17)15(19)11-3-2-4-13(16)9-11/h2-5,7,9H,6,8,10H2,1H3
InChIKeyCGOFQMWQEKQWBG-UHFFFAOYSA-N
XLogP2.88
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone
CID 112535728
(3-chlorophenyl)-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)methanone
CID 110647111
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone
CID 112533950
(3-chlorophenyl)-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 83273712
(3-chlorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018490
1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone
CID 112535743
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one
CID 112535720
2-[7-chloro-2-(3-chlorobenzoyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
CID 11545863
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
4-(6,8-dichloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylpyridin-2-one
CID 71859373

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone (CID 112535736) is (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone is Cn1ccc2c1CCN(C(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone?
The InChIKey is CGOFQMWQEKQWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-17-7-5-12-10-18(8-6-14(12)17)15(19)11-3-2-4-13(16)9-11/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone?
(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone has a molecular weight of 274.75 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 112535736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).