4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile

C10H9ClN2 — CID 169463560

IUPAC4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile
SMILESN#Cc1ccc(C=CCN)c(Cl)c1
InChIInChI=1S/C10H9ClN2/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h1-4,6H,5,12H2
InChIKeyUQOMJPVNMFYXTL-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.18
Rot. Bonds2

About 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile

4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile (PubChem CID 169463560) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile
PubChem CID169463560
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile
SMILESN#Cc1ccc(C=CCN)c(Cl)c1
InChIInChI=1S/C10H9ClN2/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h1-4,6H,5,12H2
InChIKeyUQOMJPVNMFYXTL-UHFFFAOYSA-N
XLogP2.18
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S-[3-(2-chloro-4-cyanophenyl)prop-2-enyl] ethanethioate
CID 169457203
4-chloro-3-(3-chloroprop-1-enyl)benzonitrile
CID 169477329
tert-butyl N-[3-(2-chloro-4-cyanophenyl)prop-2-enyl]carbamate
CID 169467497
3-chloro-4-methanimidoylbenzonitrile
CID 144680291
1-[4-(3-aminoprop-1-enyl)-3-chlorophenyl]ethanone
CID 169463817
3-(3-azidoprop-1-enyl)-4-chlorobenzonitrile
CID 169461741
[(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite
CID 141112966
3-[(E)-but-1-enyl]-4-formylbenzonitrile
CID 145008151
3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
CID 169463160
3-chloro-4-(2-cyanoethyl)benzonitrile
CID 131029307
S-[3-(2-chloro-5-cyanophenyl)prop-2-enyl] ethanethioate
CID 169457201
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile?
The IUPAC name of 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile (CID 169463560) is 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile.
What is the SMILES notation for 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile?
The canonical SMILES for 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile is N#Cc1ccc(C=CCN)c(Cl)c1.
What is the InChIKey of 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile?
The InChIKey is UQOMJPVNMFYXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h1-4,6H,5,12H2.
What are the key properties of 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile?
4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile has a molecular weight of 192.65 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile is sourced from PubChem (CID 169463560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).