4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one

C9H15NO2 — CID 557478

IUPAC4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one
SMILESCC1OC(=O)NC2CCCCC21
InChIInChI=1S/C9H15NO2/c1-6-7-4-2-3-5-8(7)10-9(11)12-6/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyTXSRQABALFDCOD-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.67
Rot. Bonds

About 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one

4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one (PubChem CID 557478) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one
PubChem CID557478
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one
SMILESCC1OC(=O)NC2CCCCC21
InChIInChI=1S/C9H15NO2/c1-6-7-4-2-3-5-8(7)10-9(11)12-6/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyTXSRQABALFDCOD-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Decahydro-4-quinolinyl acetate
CID 586732
4-Methyloctahydro-2h-3,1-benzoxazine
CID 23263477
4-(2-Methylpropyl)-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
CID 5124943
1,3-Benzoxazin-2-one, trans-octahydro-
CID 12809816
1,3-Benzoxazin-2-one, cis-octahydro-
CID 91691184
(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
CID 101155621
Octahydro-2H-3,1-benzoxazin-2-one
CID 12809823
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinolin-4-yl carbamate
CID 20204643
[(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] carbamate
CID 22820329
4a-methyl-4,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-2-one
CID 59871607
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinolin-4-yl methyl carbonate
CID 67901835
tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate
CID 130272561

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one?
The IUPAC name of 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one (CID 557478) is 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one.
What is the SMILES notation for 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one?
The canonical SMILES for 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one is CC1OC(=O)NC2CCCCC21.
What is the InChIKey of 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one?
The InChIKey is TXSRQABALFDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-7-4-2-3-5-8(7)10-9(11)12-6/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one?
4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one is sourced from PubChem (CID 557478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).