(4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one

C11H19NO2 — CID 166733770

IUPAC(4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one
SMILESCC[C@@H]1CC(=O)N2[C@@H]1CCOC2(C)C
InChIInChI=1S/C11H19NO2/c1-4-8-7-10(13)12-9(8)5-6-14-11(12,2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyNWYVPDQNGWINCY-RKDXNWHRSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds1

About (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one

(4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one (PubChem CID 166733770) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one.

Molecular Properties

Compound Name(4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one
PubChem CID166733770
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one
SMILESCC[C@@H]1CC(=O)N2[C@@H]1CCOC2(C)C
InChIInChI=1S/C11H19NO2/c1-4-8-7-10(13)12-9(8)5-6-14-11(12,2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyNWYVPDQNGWINCY-RKDXNWHRSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,6S,8aS)-3,6-di(propan-2-yl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-4-one
CID 57790211
1-(Oxan-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 146559107
(4R)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 146560595
(4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 146572480
4-Butan-2-yl-1-(oxan-4-yl)pyrrolidin-2-one
CID 153566187
1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one
CID 167428061
7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938801
(7S,8aS)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938845
(7R,8aS)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938893
(7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938942
(7S,8aS)-3,3,7-trimethyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-5-one
CID 173381777
(1S,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one
CID 11063683

Frequently Asked Questions

What is the IUPAC name of (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one?
The IUPAC name of (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one (CID 166733770) is (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one.
What is the SMILES notation for (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one?
The canonical SMILES for (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one is CC[C@@H]1CC(=O)N2[C@@H]1CCOC2(C)C.
What is the InChIKey of (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one?
The InChIKey is NWYVPDQNGWINCY-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-8-7-10(13)12-9(8)5-6-14-11(12,2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one?
(4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one has a molecular weight of 197.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5R)-5-ethyl-1,1-dimethyl-4,4a,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazin-7-one is sourced from PubChem (CID 166733770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).