7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C7H11NO2 — CID 163870377

IUPAC7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC12CCC(=O)N1COC2
InChIInChI=1S/C7H11NO2/c1-7-3-2-6(9)8(7)5-10-4-7/h2-5H2,1H3
InChIKeyPKHAGDSOXQVTOB-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.36
Rot. Bonds

About 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 163870377) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID163870377
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC12CCC(=O)N1COC2
InChIInChI=1S/C7H11NO2/c1-7-3-2-6(9)8(7)5-10-4-7/h2-5H2,1H3
InChIKeyPKHAGDSOXQVTOB-UHFFFAOYSA-N
XLogP0.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7aR)-7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-1-ium-5-one
CID 6966193
7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
CID 3159946
8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one
CID 165353714
(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione
CID 102090862
(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
CID 7247996
1-(2,2-dichloroacetyl)-7a-methyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one
CID 12923517
3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one
CID 113482323
1,3,3-trimethylpiperidine-2,6-dione
CID 13462179
7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione
CID 24971864
(3R,7aS)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 928831
(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 134715011
methyl 2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
CID 45122962

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 163870377) is 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC12CCC(=O)N1COC2.
What is the InChIKey of 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is PKHAGDSOXQVTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7-3-2-6(9)8(7)5-10-4-7/h2-5H2,1H3.
What are the key properties of 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 163870377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).