(2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile

C10H15N — CID 176677129

IUPAC(2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile
SMILESC/C=C(\C=C(/C)C#N)C(C)C
InChIInChI=1S/C10H15N/c1-5-10(8(2)3)6-9(4)7-11/h5-6,8H,1-4H3/b9-6+,10-5+
InChIKeyDWQUFKNCCHOAIS-TXFIJWAUSA-N
MW149.24 g/mol
LogP3.06
Rot. Bonds2

About (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile

(2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile (PubChem CID 176677129) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile
PubChem CID176677129
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile
SMILESC/C=C(\C=C(/C)C#N)C(C)C
InChIInChI=1S/C10H15N/c1-5-10(8(2)3)6-9(4)7-11/h5-6,8H,1-4H3/b9-6+,10-5+
InChIKeyDWQUFKNCCHOAIS-TXFIJWAUSA-N
XLogP3.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-2-methylbut-2-enenitrile
CID 143019003
(E)-2-methyl-4-oxopent-2-enenitrile
CID 143018586
(Z)-2,5-dimethylhex-2-enenitrile
CID 135253424
ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
CID 176714944
(E)-2-propan-2-ylbut-2-enenitrile
CID 145155046
(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299
(Z)-2-methylpent-2-enenitrile
CID 5352199
ethyl (E)-3-cyanobut-2-enoate
CID 5355913
(2E,4Z)-4-ethyl-2-methylhepta-2,4,6-trienenitrile
CID 143284376
2-propan-2-ylbut-2-enal
CID 54145685
(2E,4Z)-2,6-dimethylhepta-2,4-dienenitrile;ethane
CID 142548648
4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile
CID 91036112

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile (CID 176677129) is (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile is C/C=C(\C=C(/C)C#N)C(C)C.
What is the InChIKey of (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile?
The InChIKey is DWQUFKNCCHOAIS-TXFIJWAUSA-N. The full InChI is InChI=1S/C10H15N/c1-5-10(8(2)3)6-9(4)7-11/h5-6,8H,1-4H3/b9-6+,10-5+.
What are the key properties of (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile?
(2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methyl-4-propan-2-ylhexa-2,4-dienenitrile is sourced from PubChem (CID 176677129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).