(2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile

C18H14N2 — CID 71187619

IUPAC(2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESC[C@H]1Cc2ccc(C#N)cc2[C@@H]1c1ccc(C#N)cc1
InChIInChI=1S/C18H14N2/c1-12-8-16-7-4-14(11-20)9-17(16)18(12)15-5-2-13(10-19)3-6-15/h2-7,9,12,18H,8H2,1H3/t12-,18-/m0/s1
InChIKeyNPQIREWKFCAJSN-SGTLLEGYSA-N
MW258.32 g/mol
LogP3.75
Rot. Bonds1

About (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile

(2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 71187619) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID71187619
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name(2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESC[C@H]1Cc2ccc(C#N)cc2[C@@H]1c1ccc(C#N)cc1
InChIInChI=1S/C18H14N2/c1-12-8-16-7-4-14(11-20)9-17(16)18(12)15-5-2-13(10-19)3-6-15/h2-7,9,12,18H,8H2,1H3/t12-,18-/m0/s1
InChIKeyNPQIREWKFCAJSN-SGTLLEGYSA-N
XLogP3.75
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile (CID 71187619) is (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile is C[C@H]1Cc2ccc(C#N)cc2[C@@H]1c1ccc(C#N)cc1.
What is the InChIKey of (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is NPQIREWKFCAJSN-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H14N2/c1-12-8-16-7-4-14(11-20)9-17(16)18(12)15-5-2-13(10-19)3-6-15/h2-7,9,12,18H,8H2,1H3/t12-,18-/m0/s1.
What are the key properties of (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile?
(2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 71187619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).