2-pent-4-enylpropanedinitrile

C8H10N2 — CID 131851760

IUPAC2-pent-4-enylpropanedinitrile
SMILESC=CCCCC(C#N)C#N
InChIInChI=1S/C8H10N2/c1-2-3-4-5-8(6-9)7-10/h2,8H,1,3-5H2
InChIKeyXWUHIOCPJGDOBO-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.01
Rot. Bonds4

About 2-pent-4-enylpropanedinitrile

2-pent-4-enylpropanedinitrile (PubChem CID 131851760) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-pent-4-enylpropanedinitrile.

Molecular Properties

Compound Name2-pent-4-enylpropanedinitrile
PubChem CID131851760
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-pent-4-enylpropanedinitrile
SMILESC=CCCCC(C#N)C#N
InChIInChI=1S/C8H10N2/c1-2-3-4-5-8(6-9)7-10/h2,8H,1,3-5H2
InChIKeyXWUHIOCPJGDOBO-UHFFFAOYSA-N
XLogP2.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxyhept-6-enenitrile
CID 10654227
2-ethyloct-7-enenitrile
CID 87482647
3-hydroxyoct-7-enenitrile
CID 23468119
2-methylhexadec-15-enenitrile
CID 54387096
oct-7-enenitrile
CID 10909562
methyl 2-cyanohept-6-enoate
CID 15363749
2-tributylstannyloct-7-enenitrile
CID 164521107
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
2-(benzenesulfonyl)hept-6-enenitrile
CID 10243798
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
6-bromohept-1-ene
CID 12722403
1-fluorohex-5-en-1-ol
CID 165382533

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enylpropanedinitrile?
The IUPAC name of 2-pent-4-enylpropanedinitrile (CID 131851760) is 2-pent-4-enylpropanedinitrile.
What is the SMILES notation for 2-pent-4-enylpropanedinitrile?
The canonical SMILES for 2-pent-4-enylpropanedinitrile is C=CCCCC(C#N)C#N.
What is the InChIKey of 2-pent-4-enylpropanedinitrile?
The InChIKey is XWUHIOCPJGDOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-4-5-8(6-9)7-10/h2,8H,1,3-5H2.
What are the key properties of 2-pent-4-enylpropanedinitrile?
2-pent-4-enylpropanedinitrile has a molecular weight of 134.18 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enylpropanedinitrile is sourced from PubChem (CID 131851760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).