1H-indol-3-yl(oxolan-3-yl)methanone

C13H13NO2 — CID 61272977

IUPAC1H-indol-3-yl(oxolan-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)C1CCOC1
InChIInChI=1S/C13H13NO2/c15-13(9-5-6-16-8-9)11-7-14-12-4-2-1-3-10(11)12/h1-4,7,9,14H,5-6,8H2
InChIKeySBKZVFVFBBTYJW-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.39
Rot. Bonds2

About 1H-indol-3-yl(oxolan-3-yl)methanone

1H-indol-3-yl(oxolan-3-yl)methanone (PubChem CID 61272977) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1H-indol-3-yl(oxolan-3-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(oxolan-3-yl)methanone
PubChem CID61272977
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1H-indol-3-yl(oxolan-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)C1CCOC1
InChIInChI=1S/C13H13NO2/c15-13(9-5-6-16-8-9)11-7-14-12-4-2-1-3-10(11)12/h1-4,7,9,14H,5-6,8H2
InChIKeySBKZVFVFBBTYJW-UHFFFAOYSA-N
XLogP2.39
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl(1H-indol-3-yl)methanone
CID 965839
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272790
oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626691
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
(3-aminocyclobutyl)-(1H-indol-3-yl)methanone
CID 116917713
(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone
CID 79597549
(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272785
1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114096973
3-(oxane-4-carbonyl)-1H-indole-5-carbonitrile
CID 114015925
3-(oxane-3-carbonyl)-1H-indole-4-carbonitrile
CID 107918641
(6-nitro-1H-indol-3-yl)-(oxan-4-yl)methanone
CID 62907561
3-(oxolan-3-yl)-1H-indole
CID 146673552

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(oxolan-3-yl)methanone?
The IUPAC name of 1H-indol-3-yl(oxolan-3-yl)methanone (CID 61272977) is 1H-indol-3-yl(oxolan-3-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl(oxolan-3-yl)methanone?
The canonical SMILES for 1H-indol-3-yl(oxolan-3-yl)methanone is O=C(c1c[nH]c2ccccc12)C1CCOC1.
What is the InChIKey of 1H-indol-3-yl(oxolan-3-yl)methanone?
The InChIKey is SBKZVFVFBBTYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(9-5-6-16-8-9)11-7-14-12-4-2-1-3-10(11)12/h1-4,7,9,14H,5-6,8H2.
What are the key properties of 1H-indol-3-yl(oxolan-3-yl)methanone?
1H-indol-3-yl(oxolan-3-yl)methanone has a molecular weight of 215.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(oxolan-3-yl)methanone is sourced from PubChem (CID 61272977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).