7-methoxy-3,4-dihydronaphthalene-1-carbonitrile

C12H11NO — CID 11521201

IUPAC7-methoxy-3,4-dihydronaphthalene-1-carbonitrile
SMILESCOc1ccc2c(c1)C(C#N)=CCC2
InChIInChI=1S/C12H11NO/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h4-7H,2-3H2,1H3
InChIKeyIBAXOSUDTXPJSA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.55
Rot. Bonds1

About 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile

7-methoxy-3,4-dihydronaphthalene-1-carbonitrile (PubChem CID 11521201) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-methoxy-3,4-dihydronaphthalene-1-carbonitrile
PubChem CID11521201
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name7-methoxy-3,4-dihydronaphthalene-1-carbonitrile
SMILESCOc1ccc2c(c1)C(C#N)=CCC2
InChIInChI=1S/C12H11NO/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h4-7H,2-3H2,1H3
InChIKeyIBAXOSUDTXPJSA-UHFFFAOYSA-N
XLogP2.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile 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

7-ethyl-3,4-dihydronaphthalene-1-carbonitrile
CID 82075141
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine
CID 123816492
[cyano-(7-methoxy-3,4-dihydronaphthalen-1-yl)methyl] butanoate
CID 141402606
(7-methoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 11243752
4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride
CID 139664606
7-methoxy-1,2-dihydroquinoline-4-carbonitrile
CID 123990064
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
4-cyclopropylidene-6-methoxy-2,3-dihydro-1H-naphthalene
CID 67360409
2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 19048915
2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10058698

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile?
The IUPAC name of 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile (CID 11521201) is 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile.
What is the SMILES notation for 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile?
The canonical SMILES for 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile is COc1ccc2c(c1)C(C#N)=CCC2.
What is the InChIKey of 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile?
The InChIKey is IBAXOSUDTXPJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h4-7H,2-3H2,1H3.
What are the key properties of 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile?
7-methoxy-3,4-dihydronaphthalene-1-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dihydronaphthalene-1-carbonitrile is sourced from PubChem (CID 11521201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).