2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide

C8H11ClN2O — CID 61038565

IUPAC2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
SMILESN#CCCN(C(=O)CCl)C1CC1
InChIInChI=1S/C8H11ClN2O/c9-6-8(12)11(5-1-4-10)7-2-3-7/h7H,1-3,5-6H2
InChIKeyOKJQWYJFQCJTBR-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.13
Rot. Bonds4

About 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide

2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide (PubChem CID 61038565) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
PubChem CID61038565
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
SMILESN#CCCN(C(=O)CCl)C1CC1
InChIInChI=1S/C8H11ClN2O/c9-6-8(12)11(5-1-4-10)7-2-3-7/h7H,1-3,5-6H2
InChIKeyOKJQWYJFQCJTBR-UHFFFAOYSA-N
XLogP1.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.13
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

3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide
CID 61038810
4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
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-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62539671
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61040136
N-tert-butyl-2-chloro-N-(2-cyanoethyl)acetamide
CID 5187828
N-(2-cyanoethyl)-N-cyclopentylpentanamide
CID 98014383
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylpropanamide
CID 61266827
6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide
CID 65292006
N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide
CID 103520343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide (CID 61038565) is 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide is N#CCCN(C(=O)CCl)C1CC1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide?
The InChIKey is OKJQWYJFQCJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-6-8(12)11(5-1-4-10)7-2-3-7/h7H,1-3,5-6H2.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide?
2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide has a molecular weight of 186.64 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide is sourced from PubChem (CID 61038565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).