4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline

C10H12ClN — CID 10511619

IUPAC4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C\Cl)cc1
InChIInChI=1S/C10H12ClN/c1-12(2)10-5-3-9(4-6-10)7-8-11/h3-8H,1-2H3/b8-7-
InChIKeyMROVNOLUELPQIT-FPLPWBNLSA-N
MW181.67 g/mol
LogP2.96
Rot. Bonds2

About 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline

4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline (PubChem CID 10511619) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline
PubChem CID10511619
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C\Cl)cc1
InChIInChI=1S/C10H12ClN/c1-12(2)10-5-3-9(4-6-10)7-8-11/h3-8H,1-2H3/b8-7-
InChIKeyMROVNOLUELPQIT-FPLPWBNLSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline (CID 10511619) is 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C\Cl)cc1.
What is the InChIKey of 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline?
The InChIKey is MROVNOLUELPQIT-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H12ClN/c1-12(2)10-5-3-9(4-6-10)7-8-11/h3-8H,1-2H3/b8-7-.
What are the key properties of 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline?
4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline has a molecular weight of 181.67 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloroethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 10511619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).