(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile

C12H10N2 — CID 6925451

IUPAC(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC[C@@]1(C#N)CCc2ccccc21
InChIInChI=1S/C12H10N2/c13-8-7-12(9-14)6-5-10-3-1-2-4-11(10)12/h1-4H,5-7H2/t12-/m1/s1
InChIKeyQDXWDVPSKWHIDI-GFCCVEGCSA-N
MW182.23 g/mol
LogP2.31
Rot. Bonds1

About (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile

(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 6925451) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
PubChem CID6925451
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC[C@@]1(C#N)CCc2ccccc21
InChIInChI=1S/C12H10N2/c13-8-7-12(9-14)6-5-10-3-1-2-4-11(10)12/h1-4H,5-7H2/t12-/m1/s1
InChIKeyQDXWDVPSKWHIDI-GFCCVEGCSA-N
XLogP2.31
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile
CID 65407473
1-butyl-2,3-dihydroindene-1-carbonitrile
CID 65408816
1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
CID 65409010
1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile
CID 114280383
1-(cyanomethyl)-5-methoxy-2,3-dihydroindene-1-carbonitrile
CID 12938512
1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile
CID 103415058
1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 65408435
1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile
CID 65408044
1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 112645128
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 104650512
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376812

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile (CID 6925451) is (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile is N#CC[C@@]1(C#N)CCc2ccccc21.
What is the InChIKey of (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is QDXWDVPSKWHIDI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H10N2/c13-8-7-12(9-14)6-5-10-3-1-2-4-11(10)12/h1-4H,5-7H2/t12-/m1/s1.
What are the key properties of (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile?
(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 6925451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).