4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one

C11H11NO2 — CID 169499137

IUPAC4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
SMILESCOc1cccc2c1NC(=O)C1CC21
InChIInChI=1S/C11H11NO2/c1-14-9-4-2-3-6-7-5-8(7)11(13)12-10(6)9/h2-4,7-8H,5H2,1H3,(H,12,13)
InChIKeyROCOABOJDJWETM-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.75
Rot. Bonds1

About 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one

4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one (PubChem CID 169499137) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
PubChem CID169499137
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
SMILESCOc1cccc2c1NC(=O)C1CC21
InChIInChI=1S/C11H11NO2/c1-14-9-4-2-3-6-7-5-8(7)11(13)12-10(6)9/h2-4,7-8H,5H2,1H3,(H,12,13)
InChIKeyROCOABOJDJWETM-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The IUPAC name of 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one (CID 169499137) is 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one.
What is the SMILES notation for 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The canonical SMILES for 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one is COc1cccc2c1NC(=O)C1CC21.
What is the InChIKey of 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The InChIKey is ROCOABOJDJWETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-9-4-2-3-6-7-5-8(7)11(13)12-10(6)9/h2-4,7-8H,5H2,1H3,(H,12,13).
What are the key properties of 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one is sourced from PubChem (CID 169499137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).