7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one

C12H13NO2 — CID 82278075

IUPAC7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
SMILESCOc1ccc2c(c1)NCC1(CC1)C2=O
InChIInChI=1S/C12H13NO2/c1-15-8-2-3-9-10(6-8)13-7-12(4-5-12)11(9)14/h2-3,6,13H,4-5,7H2,1H3
InChIKeyDBQXZJIUPXWEJE-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.08
Rot. Bonds1

About 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one

7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one (PubChem CID 82278075) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
PubChem CID82278075
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
SMILESCOc1ccc2c(c1)NCC1(CC1)C2=O
InChIInChI=1S/C12H13NO2/c1-15-8-2-3-9-10(6-8)13-7-12(4-5-12)11(9)14/h2-3,6,13H,4-5,7H2,1H3
InChIKeyDBQXZJIUPXWEJE-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one?
The IUPAC name of 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one (CID 82278075) is 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one.
What is the SMILES notation for 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one?
The canonical SMILES for 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one is COc1ccc2c(c1)NCC1(CC1)C2=O.
What is the InChIKey of 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one?
The InChIKey is DBQXZJIUPXWEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-8-2-3-9-10(6-8)13-7-12(4-5-12)11(9)14/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one?
7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one has a molecular weight of 203.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one is sourced from PubChem (CID 82278075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).