2-chloroethenylbenzene;prop-2-enamide

C11H12ClNO — CID 160803548

IUPAC2-chloroethenylbenzene;prop-2-enamide
SMILESC=CC(N)=O.ClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl.C3H5NO/c9-7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-7H;2H,1H2,(H2,4,5)
InChIKeySDJWQCHXQXLAMI-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.55
Rot. Bonds2

About 2-chloroethenylbenzene;prop-2-enamide

2-chloroethenylbenzene;prop-2-enamide (PubChem CID 160803548) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloroethenylbenzene;prop-2-enamide.

Molecular Properties

Compound Name2-chloroethenylbenzene;prop-2-enamide
PubChem CID160803548
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-chloroethenylbenzene;prop-2-enamide
SMILESC=CC(N)=O.ClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl.C3H5NO/c9-7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-7H;2H,1H2,(H2,4,5)
InChIKeySDJWQCHXQXLAMI-UHFFFAOYSA-N
XLogP2.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethenylbenzene;prop-2-enamide?
The IUPAC name of 2-chloroethenylbenzene;prop-2-enamide (CID 160803548) is 2-chloroethenylbenzene;prop-2-enamide.
What is the SMILES notation for 2-chloroethenylbenzene;prop-2-enamide?
The canonical SMILES for 2-chloroethenylbenzene;prop-2-enamide is C=CC(N)=O.ClC=Cc1ccccc1.
What is the InChIKey of 2-chloroethenylbenzene;prop-2-enamide?
The InChIKey is SDJWQCHXQXLAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.C3H5NO/c9-7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-7H;2H,1H2,(H2,4,5).
What are the key properties of 2-chloroethenylbenzene;prop-2-enamide?
2-chloroethenylbenzene;prop-2-enamide has a molecular weight of 209.68 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethenylbenzene;prop-2-enamide is sourced from PubChem (CID 160803548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).