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

C11H12N2 — CID 130570305

IUPAC1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile
SMILESCC1CC(N)(C#N)c2ccccc21
InChIInChI=1S/C11H12N2/c1-8-6-11(13,7-12)10-5-3-2-4-9(8)10/h2-5,8H,6,13H2,1H3
InChIKeyRYMHHIOSWWYKCU-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.87
Rot. Bonds

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

1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile (PubChem CID 130570305) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile
PubChem CID130570305
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile
SMILESCC1CC(N)(C#N)c2ccccc21
InChIInChI=1S/C11H12N2/c1-8-6-11(13,7-12)10-5-3-2-4-9(8)10/h2-5,8H,6,13H2,1H3
InChIKeyRYMHHIOSWWYKCU-UHFFFAOYSA-N
XLogP1.87
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile
CID 130570389
3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
CID 75162996
1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
CID 115420917
4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one
CID 142902454
2-(3-methoxy-1-methyl-2,3-dihydroinden-1-yl)propanedinitrile
CID 102128990
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524420
1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419755
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
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1,3,3,5-tetramethyl-1,2,4,5-tetrahydro-2-benzazepine chloride
CID 53313999
1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile
CID 10014022

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile (CID 130570305) is 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile is CC1CC(N)(C#N)c2ccccc21.
What is the InChIKey of 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile?
The InChIKey is RYMHHIOSWWYKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-6-11(13,7-12)10-5-3-2-4-9(8)10/h2-5,8H,6,13H2,1H3.
What are the key properties of 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile?
1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 130570305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).