2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone

C13H15NO2 — CID 116554107

IUPAC2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone
SMILESO=C(c1ccc2c(c1)CCN2)C1CCOC1
InChIInChI=1S/C13H15NO2/c15-13(11-4-6-16-8-11)10-1-2-12-9(7-10)3-5-14-12/h1-2,7,11,14H,3-6,8H2
InChIKeyPWFQOVUXEPFPGF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.87
Rot. Bonds2

About 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone

2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone (PubChem CID 116554107) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone
PubChem CID116554107
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone
SMILESO=C(c1ccc2c(c1)CCN2)C1CCOC1
InChIInChI=1S/C13H15NO2/c15-13(11-4-6-16-8-11)10-1-2-12-9(7-10)3-5-14-12/h1-2,7,11,14H,3-6,8H2
InChIKeyPWFQOVUXEPFPGF-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(2,3-dihydro-1H-indol-5-yl)methanone
CID 39243587
oxolan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 61272773
N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 80712536
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone
CID 116554085
N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938337
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610355
(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone
CID 114972047
6-(oxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 61273172
(3-iodophenyl)-(oxolan-3-yl)methanone
CID 114972035

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone (CID 116554107) is 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone is O=C(c1ccc2c(c1)CCN2)C1CCOC1.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone?
The InChIKey is PWFQOVUXEPFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(11-4-6-16-8-11)10-1-2-12-9(7-10)3-5-14-12/h1-2,7,11,14H,3-6,8H2.
What are the key properties of 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone?
2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone is sourced from PubChem (CID 116554107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).