(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone

C12H13ClN2O — CID 70464224

IUPAC(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone
SMILESCN1CCC(N)=C1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-15-7-6-10(14)11(15)12(16)8-2-4-9(13)5-3-8/h2-5H,6-7,14H2,1H3
InChIKeyAMMZJLKBVIBXTP-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.03
Rot. Bonds2

About (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone

(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone (PubChem CID 70464224) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone
PubChem CID70464224
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone
SMILESCN1CCC(N)=C1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-15-7-6-10(14)11(15)12(16)8-2-4-9(13)5-3-8/h2-5H,6-7,14H2,1H3
InChIKeyAMMZJLKBVIBXTP-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-chlorobenzohydrazide
CID 15617780
4-chloro(13C)benzoic acid
CID 66995527
1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 2735795
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629
4-chlorobenzoic acid;fluoromethane
CID 174932068
(2E)-1-(4-chlorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone
CID 10900643
(2E)-1-(4-chlorophenyl)-2-isocyano-2-(1-methylpyrrolidin-2-ylidene)ethanone
CID 59079484
4-chlorobenzoic acid;molecular hydrogen
CID 175545154
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
1-[2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 178016521
9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
CID 10266940
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone (CID 70464224) is (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone is CN1CCC(N)=C1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone?
The InChIKey is AMMZJLKBVIBXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-15-7-6-10(14)11(15)12(16)8-2-4-9(13)5-3-8/h2-5H,6-7,14H2,1H3.
What are the key properties of (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone?
(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone has a molecular weight of 236.70 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 70464224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).