3-chloro-N-cyclopropylpropanamide

C6H10ClNO — CID 4991895

IUPAC3-chloro-N-cyclopropylpropanamide
SMILESO=C(CCCl)NC1CC1
InChIInChI=1S/C6H10ClNO/c7-4-3-6(9)8-5-1-2-5/h5H,1-4H2,(H,8,9)
InChIKeyPEEXBRLULOKKGS-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.89
Rot. Bonds3

About 3-chloro-N-cyclopropylpropanamide

3-chloro-N-cyclopropylpropanamide (PubChem CID 4991895) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 3-chloro-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropylpropanamide
PubChem CID4991895
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name3-chloro-N-cyclopropylpropanamide
SMILESO=C(CCCl)NC1CC1
InChIInChI=1S/C6H10ClNO/c7-4-3-6(9)8-5-1-2-5/h5H,1-4H2,(H,8,9)
InChIKeyPEEXBRLULOKKGS-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropylpropanamide?
The IUPAC name of 3-chloro-N-cyclopropylpropanamide (CID 4991895) is 3-chloro-N-cyclopropylpropanamide.
What is the SMILES notation for 3-chloro-N-cyclopropylpropanamide?
The canonical SMILES for 3-chloro-N-cyclopropylpropanamide is O=C(CCCl)NC1CC1.
What is the InChIKey of 3-chloro-N-cyclopropylpropanamide?
The InChIKey is PEEXBRLULOKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-4-3-6(9)8-5-1-2-5/h5H,1-4H2,(H,8,9).
What are the key properties of 3-chloro-N-cyclopropylpropanamide?
3-chloro-N-cyclopropylpropanamide has a molecular weight of 147.60 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropylpropanamide is sourced from PubChem (CID 4991895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).