(E)-(111C)non-4-enenitrile

C9H15N — CID 10103223

IUPAC(E)-(111C)non-4-enenitrile
SMILESCCCC/C=C/CC[11C]#N
InChIInChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h5-6H,2-4,7-8H2,1H3/b6-5+/i9-1
InChIKeySZOZLQBIUISGSD-ONGDVWRNSA-N
MW136.23 g/mol
LogP3.04
Rot. Bonds5

About (E)-(111C)non-4-enenitrile

(E)-(111C)non-4-enenitrile (PubChem CID 10103223) has the molecular formula C9H15N and a molecular weight of 136.23 g/mol. Its IUPAC name is (E)-(111C)non-4-enenitrile.

Molecular Properties

Compound Name(E)-(111C)non-4-enenitrile
PubChem CID10103223
Molecular FormulaC9H15N
Molecular Weight136.23 g/mol
Exact Mass136.13
IUPAC Name(E)-(111C)non-4-enenitrile
SMILESCCCC/C=C/CC[11C]#N
InChIInChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h5-6H,2-4,7-8H2,1H3/b6-5+/i9-1
InChIKeySZOZLQBIUISGSD-ONGDVWRNSA-N
XLogP3.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 53.04
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

(E)-dec-4-enenitrile
CID 88850530
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
trideca-4,10-dienenitrile
CID 131746236
octadec-6-enenitrile
CID 54098739
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
hept-4-enenitrile
CID 54322660
(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
CID 101282527
(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile
CID 139556590
undeca-4,8-dienenitrile
CID 131746233
(E)-dodec-8-enenitrile
CID 101282237
dec-5-ene;trihydrobromide
CID 175802238
(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535

Frequently Asked Questions

What is the IUPAC name of (E)-(111C)non-4-enenitrile?
The IUPAC name of (E)-(111C)non-4-enenitrile (CID 10103223) is (E)-(111C)non-4-enenitrile.
What is the SMILES notation for (E)-(111C)non-4-enenitrile?
The canonical SMILES for (E)-(111C)non-4-enenitrile is CCCC/C=C/CC[11C]#N.
What is the InChIKey of (E)-(111C)non-4-enenitrile?
The InChIKey is SZOZLQBIUISGSD-ONGDVWRNSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h5-6H,2-4,7-8H2,1H3/b6-5+/i9-1.
What are the key properties of (E)-(111C)non-4-enenitrile?
(E)-(111C)non-4-enenitrile has a molecular weight of 136.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(111C)non-4-enenitrile is sourced from PubChem (CID 10103223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).