(Z)-2-cyano-N-methylhex-2-enamide

C8H12N2O — CID 144646331

IUPAC(Z)-2-cyano-N-methylhex-2-enamide
SMILESCCC/C=C(/C#N)C(=O)NC
InChIInChI=1S/C8H12N2O/c1-3-4-5-7(6-9)8(11)10-2/h5H,3-4H2,1-2H3,(H,10,11)/b7-5-
InChIKeyLXJDBXCDYYVQCD-ALCCZGGFSA-N
MW152.20 g/mol
LogP0.98
Rot. Bonds3

About (Z)-2-cyano-N-methylhex-2-enamide

(Z)-2-cyano-N-methylhex-2-enamide (PubChem CID 144646331) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (Z)-2-cyano-N-methylhex-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methylhex-2-enamide
PubChem CID144646331
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(Z)-2-cyano-N-methylhex-2-enamide
SMILESCCC/C=C(/C#N)C(=O)NC
InChIInChI=1S/C8H12N2O/c1-3-4-5-7(6-9)8(11)10-2/h5H,3-4H2,1-2H3,(H,10,11)/b7-5-
InChIKeyLXJDBXCDYYVQCD-ALCCZGGFSA-N
XLogP0.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-5-iodo-N-methylpent-2-enamide
CID 90225877
2-butylidene-3-ethylidenebutanedinitrile
CID 54047697
acetyl 2-cyanohex-2-eneperoxoate
CID 174687252
2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
CID 3467239
2-cyanohex-2-enethioamide
CID 173457550
3-methoxypropyl 2-cyanohex-2-eneperoxoate
CID 158611774
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 29424540
2-cyano-5-propoxypent-2-enoic acid
CID 90825047
2-methylhex-2-ene;oxalonitrile
CID 174896444
2-cyanopent-2-enoic acid
CID 53421663
(2E,4Z)-2-cyano-N-methyl-4-(methylideneamino)hepta-2,4,6-trienamide
CID 145048979
(E)-2-acetylpent-2-enenitrile;ethane
CID 145095294

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methylhex-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methylhex-2-enamide (CID 144646331) is (Z)-2-cyano-N-methylhex-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methylhex-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methylhex-2-enamide is CCC/C=C(/C#N)C(=O)NC.
What is the InChIKey of (Z)-2-cyano-N-methylhex-2-enamide?
The InChIKey is LXJDBXCDYYVQCD-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-5-7(6-9)8(11)10-2/h5H,3-4H2,1-2H3,(H,10,11)/b7-5-.
What are the key properties of (Z)-2-cyano-N-methylhex-2-enamide?
(Z)-2-cyano-N-methylhex-2-enamide has a molecular weight of 152.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-methylhex-2-enamide is sourced from PubChem (CID 144646331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).