4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one

C11H19NO2 — CID 14271712

IUPAC4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
SMILESCC(C)C1NC(=O)OC2CCCCC21
InChIInChI=1S/C11H19NO2/c1-7(2)10-8-5-3-4-6-9(8)14-11(13)12-10/h7-10H,3-6H2,1-2H3,(H,12,13)
InChIKeySEHKIHGMYYTWPT-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.31
Rot. Bonds1

About 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one

4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one (PubChem CID 14271712) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
PubChem CID14271712
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
SMILESCC(C)C1NC(=O)OC2CCCCC21
InChIInChI=1S/C11H19NO2/c1-7(2)10-8-5-3-4-6-9(8)14-11(13)12-10/h7-10H,3-6H2,1-2H3,(H,12,13)
InChIKeySEHKIHGMYYTWPT-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one with MolForge

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Related Compounds

2-methylcyclohexyl N-cyclohexylcarbamate
CID 5128034
(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
CID 11389810
4-Methyloctahydro-2h-3,1-benzoxazine
CID 23263477
(4aS,7R,8aR)-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-2-one
CID 162410546
Benzo[d][1,3]-oxazin-2-one, perhydro-4-methyl-
CID 557478
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

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one?
The IUPAC name of 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one (CID 14271712) is 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one.
What is the SMILES notation for 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one?
The canonical SMILES for 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one is CC(C)C1NC(=O)OC2CCCCC21.
What is the InChIKey of 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one?
The InChIKey is SEHKIHGMYYTWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)10-8-5-3-4-6-9(8)14-11(13)12-10/h7-10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one?
4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one is sourced from PubChem (CID 14271712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).