(2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone

C14H17NO2 — CID 2970724

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCO1
InChIInChI=1S/C14H17NO2/c1-10-9-11-5-2-3-6-12(11)15(10)14(16)13-7-4-8-17-13/h2-3,5-6,10,13H,4,7-9H2,1H3
InChIKeyUXYQSLYRJLGZGN-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.14
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone (PubChem CID 2970724) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
PubChem CID2970724
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCO1
InChIInChI=1S/C14H17NO2/c1-10-9-11-5-2-3-6-12(11)15(10)14(16)13-7-4-8-17-13/h2-3,5-6,10,13H,4,7-9H2,1H3
InChIKeyUXYQSLYRJLGZGN-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone (CID 2970724) is (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone is CC1Cc2ccccc2N1C(=O)C1CCCO1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is UXYQSLYRJLGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-9-11-5-2-3-6-12(11)15(10)14(16)13-7-4-8-17-13/h2-3,5-6,10,13H,4,7-9H2,1H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 231.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 2970724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).