2-methylhex-2-enamide;hydrochloride

C7H14ClNO — CID 141109029

IUPAC2-methylhex-2-enamide;hydrochloride
SMILESCCCC=C(C)C(N)=O.Cl
InChIInChI=1S/C7H13NO.ClH/c1-3-4-5-6(2)7(8)9;/h5H,3-4H2,1-2H3,(H2,8,9);1H
InChIKeyVASNCYJJLGPGJP-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.64
Rot. Bonds3

About 2-methylhex-2-enamide;hydrochloride

2-methylhex-2-enamide;hydrochloride (PubChem CID 141109029) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-methylhex-2-enamide;hydrochloride.

Molecular Properties

Compound Name2-methylhex-2-enamide;hydrochloride
PubChem CID141109029
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-methylhex-2-enamide;hydrochloride
SMILESCCCC=C(C)C(N)=O.Cl
InChIInChI=1S/C7H13NO.ClH/c1-3-4-5-6(2)7(8)9;/h5H,3-4H2,1-2H3,(H2,8,9);1H
InChIKeyVASNCYJJLGPGJP-UHFFFAOYSA-N
XLogP1.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylhex-2-enamide;propan-1-amine
CID 174435970
2-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
(Z)-2-aminohex-2-enamide;hydrochloride
CID 87933245
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
2-methylpent-2-enamide
CID 66895957
carbamoyl 2-methylhex-2-eneperoxoate
CID 173307552
5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
CID 141073365
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833
6-hydroxy-2-methylnon-2-enamide
CID 141320588

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-2-enamide;hydrochloride?
The IUPAC name of 2-methylhex-2-enamide;hydrochloride (CID 141109029) is 2-methylhex-2-enamide;hydrochloride.
What is the SMILES notation for 2-methylhex-2-enamide;hydrochloride?
The canonical SMILES for 2-methylhex-2-enamide;hydrochloride is CCCC=C(C)C(N)=O.Cl.
What is the InChIKey of 2-methylhex-2-enamide;hydrochloride?
The InChIKey is VASNCYJJLGPGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-3-4-5-6(2)7(8)9;/h5H,3-4H2,1-2H3,(H2,8,9);1H.
What are the key properties of 2-methylhex-2-enamide;hydrochloride?
2-methylhex-2-enamide;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-enamide;hydrochloride is sourced from PubChem (CID 141109029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).