2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone

C16H21NO — CID 116594591

IUPAC2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2CNc3ccccc32)C1
InChIInChI=1S/C16H21NO/c1-11-5-4-6-12(9-11)16(18)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,11-12,14,17H,4-6,9-10H2,1H3
InChIKeyIDAWEXCZQPDSDP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.59
Rot. Bonds2

About 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone

2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone (PubChem CID 116594591) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone
PubChem CID116594591
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2CNc3ccccc32)C1
InChIInChI=1S/C16H21NO/c1-11-5-4-6-12(9-11)16(18)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,11-12,14,17H,4-6,9-10H2,1H3
InChIKeyIDAWEXCZQPDSDP-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone (CID 116594591) is 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)C2CNc3ccccc32)C1.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone?
The InChIKey is IDAWEXCZQPDSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-5-4-6-12(9-11)16(18)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,11-12,14,17H,4-6,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone?
2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone has a molecular weight of 243.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 116594591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).