(Z)-5-imino-2-methylhex-3-enenitrile

C7H10N2 — CID 123776572

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

About (Z)-5-imino-2-methylhex-3-enenitrile

(Z)-5-imino-2-methylhex-3-enenitrile (PubChem CID 123776572) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z)-5-imino-2-methylhex-3-enenitrile.

Molecular Properties

Compound Name(Z)-5-imino-2-methylhex-3-enenitrile
PubChem CID123776572
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(Z)-5-imino-2-methylhex-3-enenitrile
SMILES[H]/N=C(C)/C=C\C(C)C#N
InChIInChI=1S/C7H10N2/c1-6(5-8)3-4-7(2)9/h3-4,6,9H,1-2H3/b4-3-,9-7+
InChIKeyUDBIFKANBHDKTP-GAWLIRPZSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-5-imino-2-methylhex-3-enenitrile?
The IUPAC name of (Z)-5-imino-2-methylhex-3-enenitrile (CID 123776572) is (Z)-5-imino-2-methylhex-3-enenitrile.
What is the SMILES notation for (Z)-5-imino-2-methylhex-3-enenitrile?
The canonical SMILES for (Z)-5-imino-2-methylhex-3-enenitrile is [H]/N=C(C)/C=C\C(C)C#N.
What is the InChIKey of (Z)-5-imino-2-methylhex-3-enenitrile?
The InChIKey is UDBIFKANBHDKTP-GAWLIRPZSA-N. The full InChI is InChI=1S/C7H10N2/c1-6(5-8)3-4-7(2)9/h3-4,6,9H,1-2H3/b4-3-,9-7+.
What are the key properties of (Z)-5-imino-2-methylhex-3-enenitrile?
(Z)-5-imino-2-methylhex-3-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)-5-imino-2-methylhex-3-enenitrile is sourced from PubChem (CID 123776572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).