2-chloro-N-cyclopropylpropanamide

C6H10ClNO — CID 4520013

IUPAC2-chloro-N-cyclopropylpropanamide
SMILESCC(Cl)C(=O)NC1CC1
InChIInChI=1S/C6H10ClNO/c1-4(7)6(9)8-5-2-3-5/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyBKYHBHCARKXKDN-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.89
Rot. Bonds2

About 2-chloro-N-cyclopropylpropanamide

2-chloro-N-cyclopropylpropanamide (PubChem CID 4520013) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 2-chloro-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropylpropanamide
PubChem CID4520013
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name2-chloro-N-cyclopropylpropanamide
SMILESCC(Cl)C(=O)NC1CC1
InChIInChI=1S/C6H10ClNO/c1-4(7)6(9)8-5-2-3-5/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyBKYHBHCARKXKDN-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopropylpropanamide 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-chloro-N-cyclopropylpropanamide?
The IUPAC name of 2-chloro-N-cyclopropylpropanamide (CID 4520013) is 2-chloro-N-cyclopropylpropanamide.
What is the SMILES notation for 2-chloro-N-cyclopropylpropanamide?
The canonical SMILES for 2-chloro-N-cyclopropylpropanamide is CC(Cl)C(=O)NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropylpropanamide?
The InChIKey is BKYHBHCARKXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-4(7)6(9)8-5-2-3-5/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-chloro-N-cyclopropylpropanamide?
2-chloro-N-cyclopropylpropanamide has a molecular weight of 147.60 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropylpropanamide is sourced from PubChem (CID 4520013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).