3-ethenyl-5-methyliminopent-3-enenitrile

C8H10N2 — CID 123175711

IUPAC3-ethenyl-5-methyliminopent-3-enenitrile
SMILESC=CC(=C/C=N/C)CC#N
InChIInChI=1S/C8H10N2/c1-3-8(4-6-9)5-7-10-2/h3,5,7H,1,4H2,2H3/b8-5?,10-7+
InChIKeyMDOVTBGPTKHJGS-NOFHWXGASA-N
MW134.18 g/mol
LogP1.71
Rot. Bonds3

About 3-ethenyl-5-methyliminopent-3-enenitrile

3-ethenyl-5-methyliminopent-3-enenitrile (PubChem CID 123175711) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-ethenyl-5-methyliminopent-3-enenitrile.

Molecular Properties

Compound Name3-ethenyl-5-methyliminopent-3-enenitrile
PubChem CID123175711
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-ethenyl-5-methyliminopent-3-enenitrile
SMILESC=CC(=C/C=N/C)CC#N
InChIInChI=1S/C8H10N2/c1-3-8(4-6-9)5-7-10-2/h3,5,7H,1,4H2,2H3/b8-5?,10-7+
InChIKeyMDOVTBGPTKHJGS-NOFHWXGASA-N
XLogP1.71
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z,7E,9E)-9-(1-fluoroethyl)-4-methyl-6-(methyliminomethyl)dodeca-3,5,7,9-tetraenenitrile
CID 155442333
Pyridin-3-ylidene malononitrile
CID 129787803
(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-acetonitrile
CID 5371973
2-(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-succinonitrile
CID 5374302
2-(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-4-methyl-pent-4-enenitrile
CID 5375039
4-Methyl-2-(3,7,11-trimethyl-dodeca-2,4,6,8,10-pentaenylideneamino)-pent-4-enenitrile
CID 5378697
carbanide;2-(2H-pyridin-2-id-3-yl)acetonitrile;vanadium;yttrium
CID 59265029
(2Z)-3-ethyl-N-methylpenta-2,4-dien-1-imine
CID 88441561
(2Z)-N-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimine
CID 88999695
(2Z,4E)-N,4-dimethylhexa-2,4-dien-1-imine
CID 89258853
(2Z,4E,6E)-N,8-dimethylnona-2,4,6,8-tetraen-1-imine
CID 89324895
(2Z,4E,6E,8Z)-N,N',4,7-tetramethyldeca-2,4,6,8-tetraene-1,10-diimine
CID 89369382

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyliminopent-3-enenitrile?
The IUPAC name of 3-ethenyl-5-methyliminopent-3-enenitrile (CID 123175711) is 3-ethenyl-5-methyliminopent-3-enenitrile.
What is the SMILES notation for 3-ethenyl-5-methyliminopent-3-enenitrile?
The canonical SMILES for 3-ethenyl-5-methyliminopent-3-enenitrile is C=CC(=C/C=N/C)CC#N.
What is the InChIKey of 3-ethenyl-5-methyliminopent-3-enenitrile?
The InChIKey is MDOVTBGPTKHJGS-NOFHWXGASA-N. The full InChI is InChI=1S/C8H10N2/c1-3-8(4-6-9)5-7-10-2/h3,5,7H,1,4H2,2H3/b8-5?,10-7+.
What are the key properties of 3-ethenyl-5-methyliminopent-3-enenitrile?
3-ethenyl-5-methyliminopent-3-enenitrile has a molecular weight of 134.18 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyliminopent-3-enenitrile is sourced from PubChem (CID 123175711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).