hex-2-enamide;2-methylprop-2-enamide

C10H18N2O2 — CID 174909220

IUPAChex-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCCC=CC(N)=O
InChIInChI=1S/C6H11NO.C4H7NO/c1-2-3-4-5-6(7)8;1-3(2)4(5)6/h4-5H,2-3H2,1H3,(H2,7,8);1H2,2H3,(H2,5,6)
InChIKeyZBSCCQMADBICLH-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.88
Rot. Bonds4

About hex-2-enamide;2-methylprop-2-enamide

hex-2-enamide;2-methylprop-2-enamide (PubChem CID 174909220) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is hex-2-enamide;2-methylprop-2-enamide.

Molecular Properties

Compound Namehex-2-enamide;2-methylprop-2-enamide
PubChem CID174909220
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namehex-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCCC=CC(N)=O
InChIInChI=1S/C6H11NO.C4H7NO/c1-2-3-4-5-6(7)8;1-3(2)4(5)6/h4-5H,2-3H2,1H3,(H2,7,8);1H2,2H3,(H2,5,6)
InChIKeyZBSCCQMADBICLH-UHFFFAOYSA-N
XLogP0.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.88
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

(E)-hex-2-enamide;hydrochloride
CID 141291310
hept-2-enamide;dihydrochloride
CID 142841404
(Z)-non-2-enamide
CID 97047009
acetic acid;(3Z)-2-methylhepta-1,3-diene;propane
CID 145349004
(3E)-2-methylhepta-1,3-diene
CID 12928201
acetamide;hepta-2,5-dienediamide
CID 174662620
2-methylhepta-1,3-diene
CID 54310621
(2Z)-nona-2,6-dienamide
CID 87394391
docosa-2,13-dienamide
CID 91597038
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
2-methylideneoct-3-enamide
CID 123552739
trideca-2,6-dienamide
CID 163862607

Frequently Asked Questions

What is the IUPAC name of hex-2-enamide;2-methylprop-2-enamide?
The IUPAC name of hex-2-enamide;2-methylprop-2-enamide (CID 174909220) is hex-2-enamide;2-methylprop-2-enamide.
What is the SMILES notation for hex-2-enamide;2-methylprop-2-enamide?
The canonical SMILES for hex-2-enamide;2-methylprop-2-enamide is C=C(C)C(N)=O.CCCC=CC(N)=O.
What is the InChIKey of hex-2-enamide;2-methylprop-2-enamide?
The InChIKey is ZBSCCQMADBICLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H7NO/c1-2-3-4-5-6(7)8;1-3(2)4(5)6/h4-5H,2-3H2,1H3,(H2,7,8);1H2,2H3,(H2,5,6).
What are the key properties of hex-2-enamide;2-methylprop-2-enamide?
hex-2-enamide;2-methylprop-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-enamide;2-methylprop-2-enamide is sourced from PubChem (CID 174909220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).