1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile

C12H13NO — CID 130570389

IUPAC1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile
SMILESCOC1(C#N)CC(C)c2ccccc21
InChIInChI=1S/C12H13NO/c1-9-7-12(8-13,14-2)11-6-4-3-5-10(9)11/h3-6,9H,7H2,1-2H3
InChIKeyYNUZGOJWBNKRPY-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.56
Rot. Bonds1

About 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile

1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile (PubChem CID 130570389) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile
PubChem CID130570389
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile
SMILESCOC1(C#N)CC(C)c2ccccc21
InChIInChI=1S/C12H13NO/c1-9-7-12(8-13,14-2)11-6-4-3-5-10(9)11/h3-6,9H,7H2,1-2H3
InChIKeyYNUZGOJWBNKRPY-UHFFFAOYSA-N
XLogP2.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile
CID 130570305
4-methoxy-2,3-dihydrothiochromene-4-carbonitrile
CID 66072767
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
CID 115420917
(1R,8R,12R)-1-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene-12-carbonitrile
CID 101119282
2-(3-methoxy-1-methyl-2,3-dihydroinden-1-yl)propanedinitrile
CID 102128990
3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
CID 75162996
4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile
CID 143114564
1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 113305950
2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile
CID 174744766
4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one
CID 142902454
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 21040228

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile (CID 130570389) is 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile is COC1(C#N)CC(C)c2ccccc21.
What is the InChIKey of 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile?
The InChIKey is YNUZGOJWBNKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-7-12(8-13,14-2)11-6-4-3-5-10(9)11/h3-6,9H,7H2,1-2H3.
What are the key properties of 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile?
1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile has a molecular weight of 187.24 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 130570389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).