(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile

C14H11NO — CID 55206724

IUPAC(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile
SMILESCOc1ccc2cc(/C=C/C#N)ccc2c1
InChIInChI=1S/C14H11NO/c1-16-14-7-6-12-9-11(3-2-8-15)4-5-13(12)10-14/h2-7,9-10H,1H3/b3-2+
InChIKeyWIOGEUIWDDQIMH-NSCUHMNNSA-N
MW209.25 g/mol
LogP3.39
Rot. Bonds2

About (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile

(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile (PubChem CID 55206724) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile
PubChem CID55206724
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile
SMILESCOc1ccc2cc(/C=C/C#N)ccc2c1
InChIInChI=1S/C14H11NO/c1-16-14-7-6-12-9-11(3-2-8-15)4-5-13(12)10-14/h2-7,9-10H,1H3/b3-2+
InChIKeyWIOGEUIWDDQIMH-NSCUHMNNSA-N
XLogP3.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxy-4-methylphenyl)prop-2-enenitrile
CID 68959012
(E)-3-(2-fluoro-5-methoxyphenyl)prop-2-enenitrile
CID 70274102
3-(4-bromo-3-methoxyphenyl)prop-2-enenitrile
CID 169484396
3-(4-amino-3-methoxyphenyl)prop-2-enenitrile
CID 76560017
3-(6-methoxynaphthalen-2-yl)but-2-enenitrile
CID 76913798
3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403
3-(3-fluoro-5-methoxyphenyl)prop-2-enenitrile
CID 169483342
[4-[(Z)-2-cyanoethenyl]-2-methoxyphenyl] 3-(4-methoxyphenyl)propanoate
CID 19229339
(E)-3-(3-acetyl-4-methoxyphenyl)prop-2-enenitrile
CID 142143871
3-(4-ethoxy-3-methoxyphenyl)prop-2-enenitrile
CID 5201241
3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enenitrile
CID 169483678
(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one
CID 103090788

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile (CID 55206724) is (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile is COc1ccc2cc(/C=C/C#N)ccc2c1.
What is the InChIKey of (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile?
The InChIKey is WIOGEUIWDDQIMH-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H11NO/c1-16-14-7-6-12-9-11(3-2-8-15)4-5-13(12)10-14/h2-7,9-10H,1H3/b3-2+.
What are the key properties of (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile?
(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile has a molecular weight of 209.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile is sourced from PubChem (CID 55206724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).