2-chloroethyl 2-methylprop-2-enimidate

C6H10ClNO — CID 170376546

IUPAC2-chloroethyl 2-methylprop-2-enimidate
SMILES[H]/N=C(\OCCCl)C(=C)C
InChIInChI=1S/C6H10ClNO/c1-5(2)6(8)9-4-3-7/h8H,1,3-4H2,2H3/b8-6-
InChIKeySCRSIJRUCDZTQG-VURMDHGXSA-N
MW147.60 g/mol
LogP1.80
Rot. Bonds3

About 2-chloroethyl 2-methylprop-2-enimidate

2-chloroethyl 2-methylprop-2-enimidate (PubChem CID 170376546) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 2-chloroethyl 2-methylprop-2-enimidate.

Molecular Properties

Compound Name2-chloroethyl 2-methylprop-2-enimidate
PubChem CID170376546
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name2-chloroethyl 2-methylprop-2-enimidate
SMILES[H]/N=C(\OCCCl)C(=C)C
InChIInChI=1S/C6H10ClNO/c1-5(2)6(8)9-4-3-7/h8H,1,3-4H2,2H3/b8-6-
InChIKeySCRSIJRUCDZTQG-VURMDHGXSA-N
XLogP1.80
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloroethyl 2-methylprop-2-enimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-methylprop-2-enimidate?
The IUPAC name of 2-chloroethyl 2-methylprop-2-enimidate (CID 170376546) is 2-chloroethyl 2-methylprop-2-enimidate.
What is the SMILES notation for 2-chloroethyl 2-methylprop-2-enimidate?
The canonical SMILES for 2-chloroethyl 2-methylprop-2-enimidate is [H]/N=C(\OCCCl)C(=C)C.
What is the InChIKey of 2-chloroethyl 2-methylprop-2-enimidate?
The InChIKey is SCRSIJRUCDZTQG-VURMDHGXSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-5(2)6(8)9-4-3-7/h8H,1,3-4H2,2H3/b8-6-.
What are the key properties of 2-chloroethyl 2-methylprop-2-enimidate?
2-chloroethyl 2-methylprop-2-enimidate has a molecular weight of 147.60 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-methylprop-2-enimidate is sourced from PubChem (CID 170376546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).