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

C6H13ClN2O — CID 87933245

IUPAC(Z)-2-aminohex-2-enamide;hydrochloride
SMILESCCC/C=C(\N)C(N)=O.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-2-3-4-5(7)6(8)9;/h4H,2-3,7H2,1H3,(H2,8,9);1H/b5-4-;
InChIKeyPZMXATPGTZSHAF-MKWAYWHRSA-N
MW164.64 g/mol
LogP0.54
Rot. Bonds3

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

(Z)-2-aminohex-2-enamide;hydrochloride (PubChem CID 87933245) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (Z)-2-aminohex-2-enamide;hydrochloride.

Molecular Properties

Compound Name(Z)-2-aminohex-2-enamide;hydrochloride
PubChem CID87933245
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(Z)-2-aminohex-2-enamide;hydrochloride
SMILESCCC/C=C(\N)C(N)=O.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-2-3-4-5(7)6(8)9;/h4H,2-3,7H2,1H3,(H2,8,9);1H/b5-4-;
InChIKeyPZMXATPGTZSHAF-MKWAYWHRSA-N
XLogP0.54
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-aminohex-2-enamide
CID 55284106
(Z)-2-aminohex-2-enamide;chloromethane
CID 126509379
2-methylhex-2-enamide;hydrochloride
CID 141109029
(Z)-2-aminopent-2-enamide
CID 19089602
(E)-2-ethylhex-2-enamide
CID 87982228
2-methylhex-2-enamide;propan-1-amine
CID 174435970
ethyl 2-carbamoylhex-2-enoate
CID 90691154
carbamoylurea;2-methylhex-2-ene
CID 174255335
(E)-hex-2-enamide;hydrochloride
CID 141291310
(2Z,3Z)-2-butylidene-5,6-dimethylhepta-3,5-dienamide
CID 142170609
(3E,5E)-4-N-ethylnona-3,5-diene-4,5-diamine
CID 147627142
(E)-2-(carbamoylamino)hex-2-enoic acid
CID 87351470

Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminohex-2-enamide;hydrochloride?
The IUPAC name of (Z)-2-aminohex-2-enamide;hydrochloride (CID 87933245) is (Z)-2-aminohex-2-enamide;hydrochloride.
What is the SMILES notation for (Z)-2-aminohex-2-enamide;hydrochloride?
The canonical SMILES for (Z)-2-aminohex-2-enamide;hydrochloride is CCC/C=C(\N)C(N)=O.Cl.
What is the InChIKey of (Z)-2-aminohex-2-enamide;hydrochloride?
The InChIKey is PZMXATPGTZSHAF-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-2-3-4-5(7)6(8)9;/h4H,2-3,7H2,1H3,(H2,8,9);1H/b5-4-;.
What are the key properties of (Z)-2-aminohex-2-enamide;hydrochloride?
(Z)-2-aminohex-2-enamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.54, 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;hydrochloride is sourced from PubChem (CID 87933245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).