8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one

C12H10ClNO2 — CID 71349209

IUPAC8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one
SMILESCC1Cc2cc3ccc(Cl)cc3n2C(=O)O1
InChIInChI=1S/C12H10ClNO2/c1-7-4-10-5-8-2-3-9(13)6-11(8)14(10)12(15)16-7/h2-3,5-7H,4H2,1H3
InChIKeyBWVHUIPQDZBDDE-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.22
Rot. Bonds

About 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one

8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one (PubChem CID 71349209) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one.

Molecular Properties

Compound Name8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one
PubChem CID71349209
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one
SMILESCC1Cc2cc3ccc(Cl)cc3n2C(=O)O1
InChIInChI=1S/C12H10ClNO2/c1-7-4-10-5-8-2-3-9(13)6-11(8)14(10)12(15)16-7/h2-3,5-7H,4H2,1H3
InChIKeyBWVHUIPQDZBDDE-UHFFFAOYSA-N
XLogP3.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one?
The IUPAC name of 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one (CID 71349209) is 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one.
What is the SMILES notation for 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one?
The canonical SMILES for 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one is CC1Cc2cc3ccc(Cl)cc3n2C(=O)O1.
What is the InChIKey of 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one?
The InChIKey is BWVHUIPQDZBDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-4-10-5-8-2-3-9(13)6-11(8)14(10)12(15)16-7/h2-3,5-7H,4H2,1H3.
What are the key properties of 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one?
8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one has a molecular weight of 235.67 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one is sourced from PubChem (CID 71349209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).