(Z)-3-phenyl-2-propylhex-2-enenitrile

C15H19N — CID 101359460

IUPAC(Z)-3-phenyl-2-propylhex-2-enenitrile
SMILESCCC/C(C#N)=C(\CCC)c1ccccc1
InChIInChI=1S/C15H19N/c1-3-8-14(12-16)15(9-4-2)13-10-6-5-7-11-13/h5-7,10-11H,3-4,8-9H2,1-2H3/b15-14-
InChIKeyLMNCKNYQSMRTHG-PFONDFGASA-N
MW213.32 g/mol
LogP4.56
Rot. Bonds5

About (Z)-3-phenyl-2-propylhex-2-enenitrile

(Z)-3-phenyl-2-propylhex-2-enenitrile (PubChem CID 101359460) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-3-phenyl-2-propylhex-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-phenyl-2-propylhex-2-enenitrile
PubChem CID101359460
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(Z)-3-phenyl-2-propylhex-2-enenitrile
SMILESCCC/C(C#N)=C(\CCC)c1ccccc1
InChIInChI=1S/C15H19N/c1-3-8-14(12-16)15(9-4-2)13-10-6-5-7-11-13/h5-7,10-11H,3-4,8-9H2,1-2H3/b15-14-
InChIKeyLMNCKNYQSMRTHG-PFONDFGASA-N
XLogP4.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-2-propylhex-2-enenitrile?
The IUPAC name of (Z)-3-phenyl-2-propylhex-2-enenitrile (CID 101359460) is (Z)-3-phenyl-2-propylhex-2-enenitrile.
What is the SMILES notation for (Z)-3-phenyl-2-propylhex-2-enenitrile?
The canonical SMILES for (Z)-3-phenyl-2-propylhex-2-enenitrile is CCC/C(C#N)=C(\CCC)c1ccccc1.
What is the InChIKey of (Z)-3-phenyl-2-propylhex-2-enenitrile?
The InChIKey is LMNCKNYQSMRTHG-PFONDFGASA-N. The full InChI is InChI=1S/C15H19N/c1-3-8-14(12-16)15(9-4-2)13-10-6-5-7-11-13/h5-7,10-11H,3-4,8-9H2,1-2H3/b15-14-.
What are the key properties of (Z)-3-phenyl-2-propylhex-2-enenitrile?
(Z)-3-phenyl-2-propylhex-2-enenitrile has a molecular weight of 213.32 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-2-propylhex-2-enenitrile is sourced from PubChem (CID 101359460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).