(E)-7-amino-7-phenylhept-5-enenitrile

C13H16N2 — CID 24973745

IUPAC(E)-7-amino-7-phenylhept-5-enenitrile
SMILESN#CCCC/C=C/C(N)c1ccccc1
InChIInChI=1S/C13H16N2/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h3-6,8-10,13H,1-2,7,15H2/b10-6+
InChIKeyUXUACFNLBDCQOI-UXBLZVDNSA-N
MW200.29 g/mol
LogP2.94
Rot. Bonds5

About (E)-7-amino-7-phenylhept-5-enenitrile

(E)-7-amino-7-phenylhept-5-enenitrile (PubChem CID 24973745) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (E)-7-amino-7-phenylhept-5-enenitrile.

Molecular Properties

Compound Name(E)-7-amino-7-phenylhept-5-enenitrile
PubChem CID24973745
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(E)-7-amino-7-phenylhept-5-enenitrile
SMILESN#CCCC/C=C/C(N)c1ccccc1
InChIInChI=1S/C13H16N2/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h3-6,8-10,13H,1-2,7,15H2/b10-6+
InChIKeyUXUACFNLBDCQOI-UXBLZVDNSA-N
XLogP2.94
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-7-amino-7-phenylhept-5-enenitrile?
The IUPAC name of (E)-7-amino-7-phenylhept-5-enenitrile (CID 24973745) is (E)-7-amino-7-phenylhept-5-enenitrile.
What is the SMILES notation for (E)-7-amino-7-phenylhept-5-enenitrile?
The canonical SMILES for (E)-7-amino-7-phenylhept-5-enenitrile is N#CCCC/C=C/C(N)c1ccccc1.
What is the InChIKey of (E)-7-amino-7-phenylhept-5-enenitrile?
The InChIKey is UXUACFNLBDCQOI-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H16N2/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h3-6,8-10,13H,1-2,7,15H2/b10-6+.
What are the key properties of (E)-7-amino-7-phenylhept-5-enenitrile?
(E)-7-amino-7-phenylhept-5-enenitrile has a molecular weight of 200.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-amino-7-phenylhept-5-enenitrile is sourced from PubChem (CID 24973745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).