N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide

C9H15ClN2O — CID 115574760

IUPACN-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide
SMILESC=C(Cl)CNCCNC(=O)C1CC1
InChIInChI=1S/C9H15ClN2O/c1-7(10)6-11-4-5-12-9(13)8-2-3-8/h8,11H,1-6H2,(H,12,13)
InChIKeyAQILGUVOONMKBA-UHFFFAOYSA-N
MW202.68 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide

N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115574760) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide
PubChem CID115574760
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC NameN-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide
SMILESC=C(Cl)CNCCNC(=O)C1CC1
InChIInChI=1S/C9H15ClN2O/c1-7(10)6-11-4-5-12-9(13)8-2-3-8/h8,11H,1-6H2,(H,12,13)
InChIKeyAQILGUVOONMKBA-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(cyclopropanecarbonylamino)ethylamino]-3-methylbut-2-enoic acid
CID 103265508
N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 113219499
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-[2-(6-hydroxyhexylamino)ethyl]cyclopropanecarboxamide
CID 103738634
N-[2-(2-sulfamoylethylamino)ethyl]cyclopropanecarboxamide
CID 115644272
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
CID 97095660
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide (CID 115574760) is N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide is C=C(Cl)CNCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is AQILGUVOONMKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7(10)6-11-4-5-12-9(13)8-2-3-8/h8,11H,1-6H2,(H,12,13).
What are the key properties of N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide?
N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 202.68 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroprop-2-enylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115574760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).