2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile

C16H20N2 — CID 43291692

IUPAC2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N2CCc3ccccc32)C1
InChIInChI=1S/C16H20N2/c1-12-6-7-14(11-17)16(10-12)18-9-8-13-4-2-3-5-15(13)18/h2-5,12,14,16H,6-10H2,1H3
InChIKeyIEKRDEALBZZGAF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.38
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile

2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile (PubChem CID 43291692) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile
PubChem CID43291692
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N2CCc3ccccc32)C1
InChIInChI=1S/C16H20N2/c1-12-6-7-14(11-17)16(10-12)18-9-8-13-4-2-3-5-15(13)18/h2-5,12,14,16H,6-10H2,1H3
InChIKeyIEKRDEALBZZGAF-UHFFFAOYSA-N
XLogP3.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile (CID 43291692) is 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)C(N2CCc3ccccc32)C1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is IEKRDEALBZZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-6-7-14(11-17)16(10-12)18-9-8-13-4-2-3-5-15(13)18/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile?
2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).