(1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C10H17NO3 — CID 71776355

IUPAC(1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC(C)[C@@H]1OCN2C(=O)[C@H](C)[C@H](O)[C@@H]12
InChIInChI=1S/C10H17NO3/c1-5(2)9-7-8(12)6(3)10(13)11(7)4-14-9/h5-9,12H,4H2,1-3H3/t6-,7+,8+,9+/m1/s1
InChIKeyTYZULWRSNJOXFU-XGEHTFHBSA-N
MW199.25 g/mol
LogP0.21
Rot. Bonds1

About (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 71776355) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID71776355
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC(C)[C@@H]1OCN2C(=O)[C@H](C)[C@H](O)[C@@H]12
InChIInChI=1S/C10H17NO3/c1-5(2)9-7-8(12)6(3)10(13)11(7)4-14-9/h5-9,12H,4H2,1-3H3/t6-,7+,8+,9+/m1/s1
InChIKeyTYZULWRSNJOXFU-XGEHTFHBSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-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

(1S,2R,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 45089001
(1S,2S,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855933
(8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855970
(3R,7S,7aR)-3-tert-butyl-7-hydroxy-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 135029506
(3R,7R,7aR)-3-tert-butyl-7-hydroxy-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 135029736
(1R,3R,7R,7aS)-3-tert-butyl-7-hydroxy-1-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 135029737
(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 135036655
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10558872
(1R,2S,8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10329490
(3R,7S,7aR)-3-tert-butyl-7-hydroxy-7a-[(1S)-1-hydroxy-2-methylpropyl]-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 10880204
(3R,4S,5R,6S)-1-Aza-4-hydroxy-5-hydroxymethyl-6-isopropyl-3-methyl-7-oxabicycl[3.3.0]octan-2-one
CID 10889694
(3R,7aS)-3-tert-butyl-7a-[(1R)-1-hydroxy-2-methylpropyl]-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-5,7-dione
CID 10890910

Frequently Asked Questions

What is the IUPAC name of (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 71776355) is (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is CC(C)[C@@H]1OCN2C(=O)[C@H](C)[C@H](O)[C@@H]12.
What is the InChIKey of (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is TYZULWRSNJOXFU-XGEHTFHBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5(2)9-7-8(12)6(3)10(13)11(7)4-14-9/h5-9,12H,4H2,1-3H3/t6-,7+,8+,9+/m1/s1.
What are the key properties of (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 199.25 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,7S,7aS)-7-hydroxy-6-methyl-1-propan-2-yl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 71776355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).