(Z)-2-aminohex-2-enamide;chloromethane

C7H15ClN2O — CID 126509379

IUPAC(Z)-2-aminohex-2-enamide;chloromethane
SMILESCCC/C=C(\N)C(N)=O.CCl
InChIInChI=1S/C6H12N2O.CH3Cl/c1-2-3-4-5(7)6(8)9;1-2/h4H,2-3,7H2,1H3,(H2,8,9);1H3/b5-4-;
InChIKeyBAHZDLDKQJLXOT-MKWAYWHRSA-N
MW178.66 g/mol
LogP0.97
Rot. Bonds3

About (Z)-2-aminohex-2-enamide;chloromethane

(Z)-2-aminohex-2-enamide;chloromethane (PubChem CID 126509379) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is (Z)-2-aminohex-2-enamide;chloromethane.

Molecular Properties

Compound Name(Z)-2-aminohex-2-enamide;chloromethane
PubChem CID126509379
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name(Z)-2-aminohex-2-enamide;chloromethane
SMILESCCC/C=C(\N)C(N)=O.CCl
InChIInChI=1S/C6H12N2O.CH3Cl/c1-2-3-4-5(7)6(8)9;1-2/h4H,2-3,7H2,1H3,(H2,8,9);1H3/b5-4-;
InChIKeyBAHZDLDKQJLXOT-MKWAYWHRSA-N
XLogP0.97
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminohex-2-enamide;chloromethane?
The IUPAC name of (Z)-2-aminohex-2-enamide;chloromethane (CID 126509379) is (Z)-2-aminohex-2-enamide;chloromethane.
What is the SMILES notation for (Z)-2-aminohex-2-enamide;chloromethane?
The canonical SMILES for (Z)-2-aminohex-2-enamide;chloromethane is CCC/C=C(\N)C(N)=O.CCl.
What is the InChIKey of (Z)-2-aminohex-2-enamide;chloromethane?
The InChIKey is BAHZDLDKQJLXOT-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H12N2O.CH3Cl/c1-2-3-4-5(7)6(8)9;1-2/h4H,2-3,7H2,1H3,(H2,8,9);1H3/b5-4-;.
What are the key properties of (Z)-2-aminohex-2-enamide;chloromethane?
(Z)-2-aminohex-2-enamide;chloromethane has a molecular weight of 178.66 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminohex-2-enamide;chloromethane is sourced from PubChem (CID 126509379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).