3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide

C9H13ClN2O — CID 61038810

IUPAC3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide
SMILESN#CCCN(C(=O)CCCl)C1CC1
InChIInChI=1S/C9H13ClN2O/c10-5-4-9(13)12(7-1-6-11)8-2-3-8/h8H,1-5,7H2
InChIKeyLNJXCYJSQMBDRS-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.52
Rot. Bonds5

About 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide

3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide (PubChem CID 61038810) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide
PubChem CID61038810
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide
SMILESN#CCCN(C(=O)CCCl)C1CC1
InChIInChI=1S/C9H13ClN2O/c10-5-4-9(13)12(7-1-6-11)8-2-3-8/h8H,1-5,7H2
InChIKeyLNJXCYJSQMBDRS-UHFFFAOYSA-N
XLogP1.52
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61038565
4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
N-(2-cyanoethyl)-N-cyclopentylpentanamide
CID 98014383
6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide
CID 65292006
N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
CID 54997696
N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
CID 63394667
N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107026394
N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide
CID 79286595
N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61040136

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide?
The IUPAC name of 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide (CID 61038810) is 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide is N#CCCN(C(=O)CCCl)C1CC1.
What is the InChIKey of 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide?
The InChIKey is LNJXCYJSQMBDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-5-4-9(13)12(7-1-6-11)8-2-3-8/h8H,1-5,7H2.
What are the key properties of 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide?
3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide has a molecular weight of 200.67 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide is sourced from PubChem (CID 61038810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).