(7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane

C12H23NO2 — CID 143955444

IUPAC(7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane
SMILESCC(C)C.CC1OCN2C(=O)CC[C@@]12C
InChIInChI=1S/C8H13NO2.C4H10/c1-6-8(2)4-3-7(10)9(8)5-11-6;1-4(2)3/h6H,3-5H2,1-2H3;4H,1-3H3/t6?,8-;/m0./s1
InChIKeyQHQXEMOTLRQPDG-JLMZJVTKSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds

About (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane

(7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane (PubChem CID 143955444) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane.

Molecular Properties

Compound Name(7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane
PubChem CID143955444
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane
SMILESCC(C)C.CC1OCN2C(=O)CC[C@@]12C
InChIInChI=1S/C8H13NO2.C4H10/c1-6-8(2)4-3-7(10)9(8)5-11-6;1-4(2)3/h6H,3-5H2,1-2H3;4H,1-3H3/t6?,8-;/m0./s1
InChIKeyQHQXEMOTLRQPDG-JLMZJVTKSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane 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

(6S,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414013
(7R,7aS)-7-Ethyl-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414083
(7R,7AS)-3,3,7-Trimethyltetrahydro-3H,5H-pyrrolo[1,2-C]oxazol-5-one
CID 118414533
(6R,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414010
(6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414157
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414398
(6R,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414509
(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414554
(7S,7aS)-7-(2-fluoroethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414672
7-Ethyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 123535522
(6S,7S)-7-ethyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 139386399
6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734586

Frequently Asked Questions

What is the IUPAC name of (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane?
The IUPAC name of (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane (CID 143955444) is (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane.
What is the SMILES notation for (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane?
The canonical SMILES for (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane is CC(C)C.CC1OCN2C(=O)CC[C@@]12C.
What is the InChIKey of (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane?
The InChIKey is QHQXEMOTLRQPDG-JLMZJVTKSA-N. The full InChI is InChI=1S/C8H13NO2.C4H10/c1-6-8(2)4-3-7(10)9(8)5-11-6;1-4(2)3/h6H,3-5H2,1-2H3;4H,1-3H3/t6?,8-;/m0./s1.
What are the key properties of (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane?
(7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane has a molecular weight of 213.32 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-1,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;2-methylpropane is sourced from PubChem (CID 143955444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).