(Z)-3-imino-2-methylhex-4-enenitrile

C7H10N2 — CID 123599459

IUPAC(Z)-3-imino-2-methylhex-4-enenitrile
SMILES[H]/N=C(/C=C\C)C(C)C#N
InChIInChI=1S/C7H10N2/c1-3-4-7(9)6(2)5-8/h3-4,6,9H,1-2H3/b4-3-,9-7-
InChIKeyRQPIYPJTNOTBEQ-DDYVKQNKSA-N
MW122.17 g/mol
LogP1.74
Rot. Bonds2

About (Z)-3-imino-2-methylhex-4-enenitrile

(Z)-3-imino-2-methylhex-4-enenitrile (PubChem CID 123599459) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z)-3-imino-2-methylhex-4-enenitrile.

Molecular Properties

Compound Name(Z)-3-imino-2-methylhex-4-enenitrile
PubChem CID123599459
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(Z)-3-imino-2-methylhex-4-enenitrile
SMILES[H]/N=C(/C=C\C)C(C)C#N
InChIInChI=1S/C7H10N2/c1-3-4-7(9)6(2)5-8/h3-4,6,9H,1-2H3/b4-3-,9-7-
InChIKeyRQPIYPJTNOTBEQ-DDYVKQNKSA-N
XLogP1.74
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Prop-2-enimidoylpropanedinitrile
CID 53855625
2-Imino-5-methylcyclohex-3-ene-1-carbonitrile
CID 123575141
3-Imino-5-methyl-2-propan-2-ylidenehex-4-enenitrile
CID 123602743
6-Ethyl-4-iminocyclohex-2-ene-1-carbonitrile
CID 123714000
(Z)-5-imino-2-methylhex-3-enenitrile
CID 123776572
4-Iminocyclohex-2-ene-1-carbonitrile
CID 123941961
(2E)-2-ethylidene-3-iminopent-4-enenitrile
CID 123998682
(Z)-5-imino-4-methylhex-3-enenitrile
CID 124019379
(Z)-2-methylhex-4-en-3-imine
CID 126675168
(Z)-2-methylidenepent-3-enimidoyl cyanide
CID 129172007
(Z)-4-iminohex-2-enimidoyl cyanide
CID 134426295
4-Iminocyclopent-2-ene-1-carbonitrile
CID 141611007

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-methylhex-4-enenitrile?
The IUPAC name of (Z)-3-imino-2-methylhex-4-enenitrile (CID 123599459) is (Z)-3-imino-2-methylhex-4-enenitrile.
What is the SMILES notation for (Z)-3-imino-2-methylhex-4-enenitrile?
The canonical SMILES for (Z)-3-imino-2-methylhex-4-enenitrile is [H]/N=C(/C=C\C)C(C)C#N.
What is the InChIKey of (Z)-3-imino-2-methylhex-4-enenitrile?
The InChIKey is RQPIYPJTNOTBEQ-DDYVKQNKSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-7(9)6(2)5-8/h3-4,6,9H,1-2H3/b4-3-,9-7-.
What are the key properties of (Z)-3-imino-2-methylhex-4-enenitrile?
(Z)-3-imino-2-methylhex-4-enenitrile has a molecular weight of 122.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-methylhex-4-enenitrile is sourced from PubChem (CID 123599459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).