hept-4-enenitrile

C7H11N — CID 54322660

IUPAChept-4-enenitrile
SMILESCCC=CCCC#N
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h3-4H,2,5-6H2,1H3
InChIKeySSSHLJHNVHOOQF-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.26
Rot. Bonds3

About hept-4-enenitrile

hept-4-enenitrile (PubChem CID 54322660) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is hept-4-enenitrile.

Molecular Properties

Compound Namehept-4-enenitrile
PubChem CID54322660
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Namehept-4-enenitrile
SMILESCCC=CCCC#N
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h3-4H,2,5-6H2,1H3
InChIKeySSSHLJHNVHOOQF-UHFFFAOYSA-N
XLogP2.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile
CID 139556590
undeca-4,8-dienenitrile
CID 131746233
trideca-4,10-dienenitrile
CID 131746236
(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
CID 101282527
(E)-dec-7-enenitrile
CID 88850471
(E)-(111C)non-4-enenitrile
CID 10103223
(E)-dec-4-enenitrile
CID 88850530
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
7-methylnon-4-enenitrile
CID 123692329
3-[[(E)-dec-7-enyl]amino]propanenitrile
CID 101282869
3-[(E)-hexadec-13-enoxy]propanenitrile
CID 101282723
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975

Frequently Asked Questions

What is the IUPAC name of hept-4-enenitrile?
The IUPAC name of hept-4-enenitrile (CID 54322660) is hept-4-enenitrile.
What is the SMILES notation for hept-4-enenitrile?
The canonical SMILES for hept-4-enenitrile is CCC=CCCC#N.
What is the InChIKey of hept-4-enenitrile?
The InChIKey is SSSHLJHNVHOOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h3-4H,2,5-6H2,1H3.
What are the key properties of hept-4-enenitrile?
hept-4-enenitrile has a molecular weight of 109.17 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-4-enenitrile is sourced from PubChem (CID 54322660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).