1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone

C11H12ClNO — CID 169463817

IUPAC1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(C=CCN)c(Cl)c1
InChIInChI=1S/C11H12ClNO/c1-8(14)10-5-4-9(3-2-6-13)11(12)7-10/h2-5,7H,6,13H2,1H3
InChIKeyJZPQEFKEQJMULO-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.51
Rot. Bonds3

About 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone

1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone (PubChem CID 169463817) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone
PubChem CID169463817
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(C=CCN)c(Cl)c1
InChIInChI=1S/C11H12ClNO/c1-8(14)10-5-4-9(3-2-6-13)11(12)7-10/h2-5,7H,6,13H2,1H3
InChIKeyJZPQEFKEQJMULO-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-aminobut-1-enyl)-3-chlorophenyl]ethanone
CID 170487216
1-[3-chloro-4-(4-hydroxybut-1-enyl)phenyl]ethanone
CID 170476846
1-[3-chloro-4-(4-sulfanylbut-1-enyl)phenyl]ethanone
CID 170478621
4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile
CID 169463560
1-[2-(3-aminoprop-1-enyl)phenyl]ethanone
CID 169463496
3-(3-aminoprop-1-enyl)-4-methylbenzoic acid
CID 169463798
1-[3-(3-chloroprop-1-enyl)-4-methylphenyl]ethanone
CID 169477614
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
methyl 4-(3-aminoprop-1-enyl)-2-chlorobenzoate
CID 169464022
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
1-[3-(4-aminobut-1-enyl)-4-methoxyphenyl]ethanone
CID 170487445
1-(4-but-2-enoxy-3-chlorophenyl)ethanone
CID 76977275

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone?
The IUPAC name of 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone (CID 169463817) is 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone.
What is the SMILES notation for 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone?
The canonical SMILES for 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone is CC(=O)c1ccc(C=CCN)c(Cl)c1.
What is the InChIKey of 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone?
The InChIKey is JZPQEFKEQJMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8(14)10-5-4-9(3-2-6-13)11(12)7-10/h2-5,7H,6,13H2,1H3.
What are the key properties of 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone?
1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone has a molecular weight of 209.68 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone is sourced from PubChem (CID 169463817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).