(E)-2-(methyliminomethyl)pent-2-enenitrile

C7H10N2 — CID 123220848

IUPAC(E)-2-(methyliminomethyl)pent-2-enenitrile
SMILESCC/C=C(C#N)\C=N\C
InChIInChI=1S/C7H10N2/c1-3-4-7(5-8)6-9-2/h4,6H,3H2,1-2H3/b7-4-,9-6+
InChIKeyBLEFYNRXPIEOKJ-WCXGJSBASA-N
MW122.17 g/mol
LogP1.55
Rot. Bonds2

About (E)-2-(methyliminomethyl)pent-2-enenitrile

(E)-2-(methyliminomethyl)pent-2-enenitrile (PubChem CID 123220848) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (E)-2-(methyliminomethyl)pent-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(methyliminomethyl)pent-2-enenitrile
PubChem CID123220848
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(E)-2-(methyliminomethyl)pent-2-enenitrile
SMILESCC/C=C(C#N)\C=N\C
InChIInChI=1S/C7H10N2/c1-3-4-7(5-8)6-9-2/h4,6H,3H2,1-2H3/b7-4-,9-6+
InChIKeyBLEFYNRXPIEOKJ-WCXGJSBASA-N
XLogP1.55
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydropyridine-3-carbonitrile
CID 53947524
(E)-2-(ethyliminomethyl)-4-fluorobut-2-enenitrile
CID 137467872
(Z)-2-cyano-N-methylpent-2-enimidoyl fluoride
CID 166104395
(E)-N,2-dimethylpent-2-en-1-imine
CID 12475952
5-Methyl-2,3-dihydropyridine
CID 53854191
2-(3-Tert-butyliminopropylidene)propanedinitrile
CID 53957765
2,3-Dihydropyridine-3,5-dicarbonitrile
CID 67085130
5-Ethyl-2,3-dihydropyridine
CID 68387499
2,3-Dihydropyridine-5-carbonitrile
CID 70043575
N,2-dimethylpent-2-en-1-imine
CID 85970945
(Z)-2-ethyl-N-methylbut-2-en-1-imine
CID 87981948
(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
CID 89370186

Frequently Asked Questions

What is the IUPAC name of (E)-2-(methyliminomethyl)pent-2-enenitrile?
The IUPAC name of (E)-2-(methyliminomethyl)pent-2-enenitrile (CID 123220848) is (E)-2-(methyliminomethyl)pent-2-enenitrile.
What is the SMILES notation for (E)-2-(methyliminomethyl)pent-2-enenitrile?
The canonical SMILES for (E)-2-(methyliminomethyl)pent-2-enenitrile is CC/C=C(C#N)\C=N\C.
What is the InChIKey of (E)-2-(methyliminomethyl)pent-2-enenitrile?
The InChIKey is BLEFYNRXPIEOKJ-WCXGJSBASA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-7(5-8)6-9-2/h4,6H,3H2,1-2H3/b7-4-,9-6+.
What are the key properties of (E)-2-(methyliminomethyl)pent-2-enenitrile?
(E)-2-(methyliminomethyl)pent-2-enenitrile has a molecular weight of 122.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methyliminomethyl)pent-2-enenitrile is sourced from PubChem (CID 123220848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).