7-Methyl-4-phenylnonanenitrile

Name: 7-Methyl-4-phenylnonanenitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₃N — CID 155426890

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC7-methyl-4-phenylnonanenitrile

SMILESCCC(C)CCC(CCC#N)c1ccccc1

InChIInChI=1S/C16H23N/c1-3-14(2)11-12-16(10-7-13-17)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3

InChIKeyWLFGVODGQZHPEN-UHFFFAOYSA-N

MW229.37 g/mol

LogP4.90

Rot. Bonds7

About 7-Methyl-4-phenylnonanenitrile

7-Methyl-4-phenylnonanenitrile (PubChem CID 155426890) has the molecular formula C₁₆H₂₃N and a molecular weight of 229.37 g/mol. Its IUPAC name is 7-methyl-4-phenylnonanenitrile.

Molecular Properties

Compound Name	7-Methyl-4-phenylnonanenitrile
PubChem CID	155426890
Molecular Formula	C₁₆H₂₃N
Molecular Weight	229.37 g/mol
Exact Mass	229.18
IUPAC Name	7-methyl-4-phenylnonanenitrile
SMILES	CCC(C)CCC(CCC#N)c1ccccc1
InChI	InChI=1S/C16H23N/c1-3-14(2)11-12-16(10-7-13-17)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3
InChIKey	WLFGVODGQZHPEN-UHFFFAOYSA-N
XLogP	4.90
TPSA	23.79 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	7
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.37
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7-Methyl-4-phenylnonanenitrile?

The IUPAC name of 7-Methyl-4-phenylnonanenitrile (CID 155426890) is 7-methyl-4-phenylnonanenitrile.

What is the SMILES notation for 7-Methyl-4-phenylnonanenitrile?

The canonical SMILES for 7-Methyl-4-phenylnonanenitrile is CCC(C)CCC(CCC#N)c1ccccc1.

What is the InChIKey of 7-Methyl-4-phenylnonanenitrile?

The InChIKey is WLFGVODGQZHPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-14(2)11-12-16(10-7-13-17)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3.

What are the key properties of 7-Methyl-4-phenylnonanenitrile?

7-Methyl-4-phenylnonanenitrile has a molecular weight of 229.37 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-Methyl-4-phenylnonanenitrile is sourced from PubChem (CID 155426890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155426890 — identifiers, structure, computed properties (public domain)

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