1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone

C14H14N2O2 — CID 129354140

IUPAC1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1C[C@H]2C[C@H]1CO2
InChIInChI=1S/C14H14N2O2/c17-14(16-7-10-5-9(16)8-18-10)12-6-15-13-4-2-1-3-11(12)13/h1-4,6,9-10,15H,5,7-8H2/t9-,10+/m0/s1
InChIKeyUMVVIEDXJNYDAK-VHSXEESVSA-N
MW242.28 g/mol
LogP1.78
Rot. Bonds1

About 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone

1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone (PubChem CID 129354140) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
PubChem CID129354140
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1C[C@H]2C[C@H]1CO2
InChIInChI=1S/C14H14N2O2/c17-14(16-7-10-5-9(16)8-18-10)12-6-15-13-4-2-1-3-11(12)13/h1-4,6,9-10,15H,5,7-8H2/t9-,10+/m0/s1
InChIKeyUMVVIEDXJNYDAK-VHSXEESVSA-N
XLogP1.78
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone (CID 129354140) is 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone is O=C(c1c[nH]c2ccccc12)N1C[C@H]2C[C@H]1CO2.
What is the InChIKey of 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone?
The InChIKey is UMVVIEDXJNYDAK-VHSXEESVSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(16-7-10-5-9(16)8-18-10)12-6-15-13-4-2-1-3-11(12)13/h1-4,6,9-10,15H,5,7-8H2/t9-,10+/m0/s1.
What are the key properties of 1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone?
1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone has a molecular weight of 242.28 g/mol, XLogP of 1.78, 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-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone is sourced from PubChem (CID 129354140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).