(E)-hex-2-enamide;hydrochloride

C6H12ClNO — CID 141291310

IUPAC(E)-hex-2-enamide;hydrochloride
SMILESCCC/C=C/C(N)=O.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-3-4-5-6(7)8;/h4-5H,2-3H2,1H3,(H2,7,8);1H/b5-4+;
InChIKeyQRHCCGCQENJGFN-FXRZFVDSSA-N
MW149.62 g/mol
LogP1.25
Rot. Bonds3

About (E)-hex-2-enamide;hydrochloride

(E)-hex-2-enamide;hydrochloride (PubChem CID 141291310) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (E)-hex-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-hex-2-enamide;hydrochloride
PubChem CID141291310
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(E)-hex-2-enamide;hydrochloride
SMILESCCC/C=C/C(N)=O.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-3-4-5-6(7)8;/h4-5H,2-3H2,1H3,(H2,7,8);1H/b5-4+;
InChIKeyQRHCCGCQENJGFN-FXRZFVDSSA-N
XLogP1.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.25
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

hept-2-enamide;dihydrochloride
CID 142841404
hex-2-enamide;2-methylprop-2-enamide
CID 174909220
(Z)-non-2-enamide
CID 97047009
(2Z)-nona-2,6-dienamide
CID 87394391
docosa-2,13-dienamide
CID 91597038
trideca-2,6-dienamide
CID 163862607
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
acetamide;hepta-2,5-dienediamide
CID 174662620
docosakis(hex-2-enoic acid);phosphane
CID 174896095
icosa-2,5,8,11,14,17-hexaenamide
CID 91451907

Frequently Asked Questions

What is the IUPAC name of (E)-hex-2-enamide;hydrochloride?
The IUPAC name of (E)-hex-2-enamide;hydrochloride (CID 141291310) is (E)-hex-2-enamide;hydrochloride.
What is the SMILES notation for (E)-hex-2-enamide;hydrochloride?
The canonical SMILES for (E)-hex-2-enamide;hydrochloride is CCC/C=C/C(N)=O.Cl.
What is the InChIKey of (E)-hex-2-enamide;hydrochloride?
The InChIKey is QRHCCGCQENJGFN-FXRZFVDSSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-3-4-5-6(7)8;/h4-5H,2-3H2,1H3,(H2,7,8);1H/b5-4+;.
What are the key properties of (E)-hex-2-enamide;hydrochloride?
(E)-hex-2-enamide;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-enamide;hydrochloride is sourced from PubChem (CID 141291310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).