(E)-3-amino-3-chloroprop-2-enamide

C3H5ClN2O — CID 88583190

IUPAC(E)-3-amino-3-chloroprop-2-enamide
SMILESNC(=O)/C=C(\N)Cl
InChIInChI=1S/C3H5ClN2O/c4-2(5)1-3(6)7/h1H,5H2,(H2,6,7)/b2-1-
InChIKeyYQXPYCIPECVPKK-UPHRSURJSA-N
MW120.54 g/mol
LogP-0.49
Rot. Bonds1

About (E)-3-amino-3-chloroprop-2-enamide

(E)-3-amino-3-chloroprop-2-enamide (PubChem CID 88583190) has the molecular formula C3H5ClN2O and a molecular weight of 120.54 g/mol. Its IUPAC name is (E)-3-amino-3-chloroprop-2-enamide.

Molecular Properties

Compound Name(E)-3-amino-3-chloroprop-2-enamide
PubChem CID88583190
Molecular FormulaC3H5ClN2O
Molecular Weight120.54 g/mol
Exact Mass120.01
IUPAC Name(E)-3-amino-3-chloroprop-2-enamide
SMILESNC(=O)/C=C(\N)Cl
InChIInChI=1S/C3H5ClN2O/c4-2(5)1-3(6)7/h1H,5H2,(H2,6,7)/b2-1-
InChIKeyYQXPYCIPECVPKK-UPHRSURJSA-N
XLogP-0.49
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.54
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(E,2E)-4-amino-2-(aminomethylidene)-4-chlorobut-3-enoic acid
CID 142397783
(Z)-2-hydroxybut-2-enediamide
CID 142800168
bis((Z)-3-amino-3-hydroxyprop-2-enamide);oxovanadium
CID 59391475
4-amino-3-(aminomethyl)but-2-enamide
CID 88783257
carbamoyl chloride;carbonochloridic acid
CID 88841427
(Z)-4-amino-2-carbamoyl-4-oxobut-2-enoic acid
CID 22748582
3-amino-4,4-dimethylpent-2-enamide
CID 143267378
(2Z,4Z)-4-amino-3-hydroxyhexa-2,4-dienamide
CID 135140646
CID 175328080
CID 175328080
1,1-dichloroethene;urea
CID 174817007
2-cyclohexylbut-2-enediamide
CID 151583610
5,5-dichloro-3-oxopent-4-enamide
CID 22139443

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-3-chloroprop-2-enamide?
The IUPAC name of (E)-3-amino-3-chloroprop-2-enamide (CID 88583190) is (E)-3-amino-3-chloroprop-2-enamide.
What is the SMILES notation for (E)-3-amino-3-chloroprop-2-enamide?
The canonical SMILES for (E)-3-amino-3-chloroprop-2-enamide is NC(=O)/C=C(\N)Cl.
What is the InChIKey of (E)-3-amino-3-chloroprop-2-enamide?
The InChIKey is YQXPYCIPECVPKK-UPHRSURJSA-N. The full InChI is InChI=1S/C3H5ClN2O/c4-2(5)1-3(6)7/h1H,5H2,(H2,6,7)/b2-1-.
What are the key properties of (E)-3-amino-3-chloroprop-2-enamide?
(E)-3-amino-3-chloroprop-2-enamide has a molecular weight of 120.54 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-chloroprop-2-enamide is sourced from PubChem (CID 88583190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).