3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide

C7H13ClN2O — CID 106437480

IUPAC3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide
SMILESCC(=CCl)CNCCC(N)=O
InChIInChI=1S/C7H13ClN2O/c1-6(4-8)5-10-3-2-7(9)11/h4,10H,2-3,5H2,1H3,(H2,9,11)
InChIKeyZPRBZLIMJQXUQL-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.59
Rot. Bonds5

About 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide

3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide (PubChem CID 106437480) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide
PubChem CID106437480
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide
SMILESCC(=CCl)CNCCC(N)=O
InChIInChI=1S/C7H13ClN2O/c1-6(4-8)5-10-3-2-7(9)11/h4,10H,2-3,5H2,1H3,(H2,9,11)
InChIKeyZPRBZLIMJQXUQL-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
3-chloro-2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 106437777
3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 43553529
3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43553568
ethane;3-(ethylamino)propanamide
CID 156743022
2-(3-methylbut-3-enylamino)acetamide
CID 114471988
N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
CID 106437388
3-chloro-2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 106437778
3-(aminomethylamino)propanamide
CID 123274483
methyl 2-bromo-3-[(3-chloro-2-methylprop-2-enyl)amino]propanoate
CID 106440102
N-(3-chloro-2-methylprop-2-enyl)-3-methylsulfanylbutan-1-amine
CID 106438114
3-(prop-2-ynylamino)propanamide
CID 43090029

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide?
The IUPAC name of 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide (CID 106437480) is 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide.
What is the SMILES notation for 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide?
The canonical SMILES for 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide is CC(=CCl)CNCCC(N)=O.
What is the InChIKey of 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide?
The InChIKey is ZPRBZLIMJQXUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O/c1-6(4-8)5-10-3-2-7(9)11/h4,10H,2-3,5H2,1H3,(H2,9,11).
What are the key properties of 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide?
3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide has a molecular weight of 176.65 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide is sourced from PubChem (CID 106437480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).