(Z)-hept-5-enenitrile

C7H11N — CID 11040648

IUPAC(Z)-hept-5-enenitrile
SMILESC/C=C\CCCC#N
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-3H,4-6H2,1H3/b3-2-
InChIKeyNBIILQIAMXPTRP-IHWYPQMZSA-N
MW109.17 g/mol
LogP2.26
Rot. Bonds3

About (Z)-hept-5-enenitrile

(Z)-hept-5-enenitrile (PubChem CID 11040648) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (Z)-hept-5-enenitrile.

Molecular Properties

Compound Name(Z)-hept-5-enenitrile
PubChem CID11040648
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(Z)-hept-5-enenitrile
SMILESC/C=C\CCCC#N
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-3H,4-6H2,1H3/b3-2-
InChIKeyNBIILQIAMXPTRP-IHWYPQMZSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-hept-5-enenitrile?
The IUPAC name of (Z)-hept-5-enenitrile (CID 11040648) is (Z)-hept-5-enenitrile.
What is the SMILES notation for (Z)-hept-5-enenitrile?
The canonical SMILES for (Z)-hept-5-enenitrile is C/C=C\CCCC#N.
What is the InChIKey of (Z)-hept-5-enenitrile?
The InChIKey is NBIILQIAMXPTRP-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-3H,4-6H2,1H3/b3-2-.
What are the key properties of (Z)-hept-5-enenitrile?
(Z)-hept-5-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 (Z)-hept-5-enenitrile is sourced from PubChem (CID 11040648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).