4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C15H17NO2 — CID 175733673

IUPAC4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cccc(C3CCCCO3)c2C12CC2
InChIInChI=1S/C15H17NO2/c17-14-15(7-8-15)13-10(4-3-5-11(13)16-14)12-6-1-2-9-18-12/h3-5,12H,1-2,6-9H2,(H,16,17)
InChIKeyLKWUNTZVHHGWOR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.91
Rot. Bonds1

About 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 175733673) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID175733673
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cccc(C3CCCCO3)c2C12CC2
InChIInChI=1S/C15H17NO2/c17-14-15(7-8-15)13-10(4-3-5-11(13)16-14)12-6-1-2-9-18-12/h3-5,12H,1-2,6-9H2,(H,16,17)
InChIKeyLKWUNTZVHHGWOR-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 175733673) is 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2cccc(C3CCCCO3)c2C12CC2.
What is the InChIKey of 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is LKWUNTZVHHGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-14-15(7-8-15)13-10(4-3-5-11(13)16-14)12-6-1-2-9-18-12/h3-5,12H,1-2,6-9H2,(H,16,17).
What are the key properties of 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 175733673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).