(Z)-hept-2-enenitrile

C7H11N — CID 87361228

IUPAC(Z)-hept-2-enenitrile
SMILESCCCC/C=C\C#N
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h5-6H,2-4H2,1H3/b6-5-
InChIKeyJAIOXBDVPQJCCD-WAYWQWQTSA-N
MW109.17 g/mol
LogP2.26
Rot. Bonds3

About (Z)-hept-2-enenitrile

(Z)-hept-2-enenitrile (PubChem CID 87361228) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (Z)-hept-2-enenitrile.

Molecular Properties

Compound Name(Z)-hept-2-enenitrile
PubChem CID87361228
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(Z)-hept-2-enenitrile
SMILESCCCC/C=C\C#N
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h5-6H,2-4H2,1H3/b6-5-
InChIKeyJAIOXBDVPQJCCD-WAYWQWQTSA-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': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

Neral nitrile
CID 1551245
2-Pentenenitrile, (Z)-
CID 6433944
2-Pentenenitrile
CID 5364360
Geranonitrile
CID 1551246
Geranyl nitrile
CID 21768
Pent-2-enenitrile
CID 25833
2,6-Nonadienenitrile
CID 105392
2-Nonenenitrile
CID 6438193
(E)-non-2-enenitrile
CID 5363118
(2e)-1-Cyano-2-heptene
CID 13643072
(E)-hept-2-enenitrile
CID 6187413
Non-2-enenitrile
CID 119859

Frequently Asked Questions

What is the IUPAC name of (Z)-hept-2-enenitrile?
The IUPAC name of (Z)-hept-2-enenitrile (CID 87361228) is (Z)-hept-2-enenitrile.
What is the SMILES notation for (Z)-hept-2-enenitrile?
The canonical SMILES for (Z)-hept-2-enenitrile is CCCC/C=C\C#N.
What is the InChIKey of (Z)-hept-2-enenitrile?
The InChIKey is JAIOXBDVPQJCCD-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h5-6H,2-4H2,1H3/b6-5-.
What are the key properties of (Z)-hept-2-enenitrile?
(Z)-hept-2-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-2-enenitrile is sourced from PubChem (CID 87361228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).