2-amino-3-iminobutanoyl chloride;hydrochloride

C4H8Cl2N2O — CID 88808185

IUPAC2-amino-3-iminobutanoyl chloride;hydrochloride
SMILESCl.[H]/N=C(\C)C(N)C(=O)Cl
InChIInChI=1S/C4H7ClN2O.ClH/c1-2(6)3(7)4(5)8;/h3,6H,7H2,1H3;1H/b6-2+;
InChIKeyMAUFVVYGCWQYNY-LKZNWTOYSA-N
MW171.03 g/mol
LogP0.54
Rot. Bonds2

About 2-amino-3-iminobutanoyl chloride;hydrochloride

2-amino-3-iminobutanoyl chloride;hydrochloride (PubChem CID 88808185) has the molecular formula C4H8Cl2N2O and a molecular weight of 171.03 g/mol. Its IUPAC name is 2-amino-3-iminobutanoyl chloride;hydrochloride.

Molecular Properties

Compound Name2-amino-3-iminobutanoyl chloride;hydrochloride
PubChem CID88808185
Molecular FormulaC4H8Cl2N2O
Molecular Weight171.03 g/mol
Exact Mass170.00
IUPAC Name2-amino-3-iminobutanoyl chloride;hydrochloride
SMILESCl.[H]/N=C(\C)C(N)C(=O)Cl
InChIInChI=1S/C4H7ClN2O.ClH/c1-2(6)3(7)4(5)8;/h3,6H,7H2,1H3;1H/b6-2+;
InChIKeyMAUFVVYGCWQYNY-LKZNWTOYSA-N
XLogP0.54
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.03
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-iminopentan-2-one
CID 143689653
2-amino-3-iminobutanethioamide
CID 123398026
ethanimidamide;propan-2-one;vanadium
CID 159949516
ethanimidamide;propan-2-one;titanium
CID 158445220
4-chloro-3,5-diiminohexan-2-one
CID 123325188
ethanimidamide;hydrate;hydrochloride
CID 160733537
ethanimidamide;tetrakis(2-oxopropanoate);titanium(4+)
CID 158288626
4-oxopent-2-enimidoyl chloride
CID 123619964
3-methylbutan-2-imine
CID 20811318
ethanimidamide;titanium(4+);tetraacetate
CID 158045448
3-ethyl-4-iminopentan-2-one
CID 90798974
4-imino-3-(methylamino)pentan-2-one
CID 54015151

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-iminobutanoyl chloride;hydrochloride?
The IUPAC name of 2-amino-3-iminobutanoyl chloride;hydrochloride (CID 88808185) is 2-amino-3-iminobutanoyl chloride;hydrochloride.
What is the SMILES notation for 2-amino-3-iminobutanoyl chloride;hydrochloride?
The canonical SMILES for 2-amino-3-iminobutanoyl chloride;hydrochloride is Cl.[H]/N=C(\C)C(N)C(=O)Cl.
What is the InChIKey of 2-amino-3-iminobutanoyl chloride;hydrochloride?
The InChIKey is MAUFVVYGCWQYNY-LKZNWTOYSA-N. The full InChI is InChI=1S/C4H7ClN2O.ClH/c1-2(6)3(7)4(5)8;/h3,6H,7H2,1H3;1H/b6-2+;.
What are the key properties of 2-amino-3-iminobutanoyl chloride;hydrochloride?
2-amino-3-iminobutanoyl chloride;hydrochloride has a molecular weight of 171.03 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-iminobutanoyl chloride;hydrochloride is sourced from PubChem (CID 88808185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).