(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone

C12H10ClNO — CID 12648629

IUPAC(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H10ClNO/c1-14-7-6-10(8-14)12(15)9-2-4-11(13)5-3-9/h2-8H,1H3
InChIKeyYYFPBMYWUYTSKV-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.91
Rot. Bonds2

About (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone

(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone (PubChem CID 12648629) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
PubChem CID12648629
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H10ClNO/c1-14-7-6-10(8-14)12(15)9-2-4-11(13)5-3-9/h2-8H,1H3
InChIKeyYYFPBMYWUYTSKV-UHFFFAOYSA-N
XLogP2.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
CID 5325964
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone
CID 18779865
(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone
CID 19861228
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
CID 19689380
[5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone
CID 10038706
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone (CID 12648629) is (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone is Cn1ccc(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone?
The InChIKey is YYFPBMYWUYTSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-14-7-6-10(8-14)12(15)9-2-4-11(13)5-3-9/h2-8H,1H3.
What are the key properties of (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone?
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone has a molecular weight of 219.67 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 12648629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).