1H-indol-3-yl(oxazinan-2-yl)methanone

C13H14N2O2 — CID 113375881

IUPAC1H-indol-3-yl(oxazinan-2-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCCCO1
InChIInChI=1S/C13H14N2O2/c16-13(15-7-3-4-8-17-15)11-9-14-12-6-2-1-5-10(11)12/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyFMHIXFUYOODLCL-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.34
Rot. Bonds1

About 1H-indol-3-yl(oxazinan-2-yl)methanone

1H-indol-3-yl(oxazinan-2-yl)methanone (PubChem CID 113375881) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1H-indol-3-yl(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(oxazinan-2-yl)methanone
PubChem CID113375881
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1H-indol-3-yl(oxazinan-2-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCCCO1
InChIInChI=1S/C13H14N2O2/c16-13(15-7-3-4-8-17-15)11-9-14-12-6-2-1-5-10(11)12/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyFMHIXFUYOODLCL-UHFFFAOYSA-N
XLogP2.34
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
1H-indol-3-yl(pyrrolidin-1-yl)methanethione
CID 750123
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
cyclopropyl(1H-indol-3-yl)methanone
CID 965839

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(oxazinan-2-yl)methanone?
The IUPAC name of 1H-indol-3-yl(oxazinan-2-yl)methanone (CID 113375881) is 1H-indol-3-yl(oxazinan-2-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl(oxazinan-2-yl)methanone?
The canonical SMILES for 1H-indol-3-yl(oxazinan-2-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCCCO1.
What is the InChIKey of 1H-indol-3-yl(oxazinan-2-yl)methanone?
The InChIKey is FMHIXFUYOODLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(15-7-3-4-8-17-15)11-9-14-12-6-2-1-5-10(11)12/h1-2,5-6,9,14H,3-4,7-8H2.
What are the key properties of 1H-indol-3-yl(oxazinan-2-yl)methanone?
1H-indol-3-yl(oxazinan-2-yl)methanone has a molecular weight of 230.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(oxazinan-2-yl)methanone is sourced from PubChem (CID 113375881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).