3-amino-2-chloroprop-1-en-1-one

C3H4ClNO — CID 151948921

IUPAC3-amino-2-chloroprop-1-en-1-one
SMILESNCC(Cl)=C=O
InChIInChI=1S/C3H4ClNO/c4-3(1-5)2-6/h1,5H2
InChIKeyYZNCXNNKEWGIDI-UHFFFAOYSA-N
MW105.52 g/mol
LogP-0.10
Rot. Bonds1

About 3-amino-2-chloroprop-1-en-1-one

3-amino-2-chloroprop-1-en-1-one (PubChem CID 151948921) has the molecular formula C3H4ClNO and a molecular weight of 105.52 g/mol. Its IUPAC name is 3-amino-2-chloroprop-1-en-1-one.

Molecular Properties

Compound Name3-amino-2-chloroprop-1-en-1-one
PubChem CID151948921
Molecular FormulaC3H4ClNO
Molecular Weight105.52 g/mol
Exact Mass105.00
IUPAC Name3-amino-2-chloroprop-1-en-1-one
SMILESNCC(Cl)=C=O
InChIInChI=1S/C3H4ClNO/c4-3(1-5)2-6/h1,5H2
InChIKeyYZNCXNNKEWGIDI-UHFFFAOYSA-N
XLogP-0.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.52
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-chloro-4-hydroxybut-1-ene-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloroprop-1-en-1-one?
The IUPAC name of 3-amino-2-chloroprop-1-en-1-one (CID 151948921) is 3-amino-2-chloroprop-1-en-1-one.
What is the SMILES notation for 3-amino-2-chloroprop-1-en-1-one?
The canonical SMILES for 3-amino-2-chloroprop-1-en-1-one is NCC(Cl)=C=O.
What is the InChIKey of 3-amino-2-chloroprop-1-en-1-one?
The InChIKey is YZNCXNNKEWGIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNO/c4-3(1-5)2-6/h1,5H2.
What are the key properties of 3-amino-2-chloroprop-1-en-1-one?
3-amino-2-chloroprop-1-en-1-one has a molecular weight of 105.52 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloroprop-1-en-1-one is sourced from PubChem (CID 151948921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).