6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one

C12H13NO2 — CID 66350309

IUPAC6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
SMILESCOc1ccc2c(c1)CCC1C(=O)NC21
InChIInChI=1S/C12H13NO2/c1-15-8-3-5-9-7(6-8)2-4-10-11(9)13-12(10)14/h3,5-6,10-11H,2,4H2,1H3,(H,13,14)
InChIKeyODSWKHSNOFSSOF-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.43
Rot. Bonds1

About 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one

6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one (PubChem CID 66350309) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one.

Molecular Properties

Compound Name6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
PubChem CID66350309
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
SMILESCOc1ccc2c(c1)CCC1C(=O)NC21
InChIInChI=1S/C12H13NO2/c1-15-8-3-5-9-7(6-8)2-4-10-11(9)13-12(10)14/h3,5-6,10-11H,2,4H2,1H3,(H,13,14)
InChIKeyODSWKHSNOFSSOF-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one?
The IUPAC name of 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one (CID 66350309) is 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one.
What is the SMILES notation for 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one?
The canonical SMILES for 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one is COc1ccc2c(c1)CCC1C(=O)NC21.
What is the InChIKey of 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one?
The InChIKey is ODSWKHSNOFSSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-8-3-5-9-7(6-8)2-4-10-11(9)13-12(10)14/h3,5-6,10-11H,2,4H2,1H3,(H,13,14).
What are the key properties of 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one?
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one is sourced from PubChem (CID 66350309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).