3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide

C10H17ClN2O — CID 81429141

IUPAC3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide
SMILESO=C(CCNC/C=C/CCl)NC1CC1
InChIInChI=1S/C10H17ClN2O/c11-6-1-2-7-12-8-5-10(14)13-9-3-4-9/h1-2,9,12H,3-8H2,(H,13,14)/b2-1+
InChIKeyFWIBHTPIIMNXBM-OWOJBTEDSA-N
MW216.71 g/mol
LogP1.04
Rot. Bonds7

About 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide

3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide (PubChem CID 81429141) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide
PubChem CID81429141
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide
SMILESO=C(CCNC/C=C/CCl)NC1CC1
InChIInChI=1S/C10H17ClN2O/c11-6-1-2-7-12-8-5-10(14)13-9-3-4-9/h1-2,9,12H,3-8H2,(H,13,14)/b2-1+
InChIKeyFWIBHTPIIMNXBM-OWOJBTEDSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide
CID 81429288
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
4-chloro-N-cyclopropylbutanamide
CID 5152347
N,N'-dicyclopropylbutanediamide
CID 5225156
2-chloro-N-cyclododecylacetamide
CID 4285747
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N,N'-dicyclopropyldecanediamide
CID 4668836
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
3-[[(E)-4-chlorobut-2-enyl]amino]-N,N-dimethylpropanamide
CID 81431155
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide (CID 81429141) is 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide is O=C(CCNC/C=C/CCl)NC1CC1.
What is the InChIKey of 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide?
The InChIKey is FWIBHTPIIMNXBM-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H17ClN2O/c11-6-1-2-7-12-8-5-10(14)13-9-3-4-9/h1-2,9,12H,3-8H2,(H,13,14)/b2-1+.
What are the key properties of 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide?
3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide has a molecular weight of 216.71 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 81429141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).