(3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]

C9H15NO — CID 15937516

IUPAC(3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]
SMILESC[C@]12CCCN1OC1(CC1)C2
InChIInChI=1S/C9H15NO/c1-8-3-2-6-10(8)11-9(7-8)4-5-9/h2-7H2,1H3/t8-/m1/s1
InChIKeyQOFYCKVPJMRNEO-MRVPVSSYSA-N
MW153.22 g/mol
LogP1.71
Rot. Bonds

About (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]

(3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane] (PubChem CID 15937516) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane].

Molecular Properties

Compound Name(3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]
PubChem CID15937516
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]
SMILESC[C@]12CCCN1OC1(CC1)C2
InChIInChI=1S/C9H15NO/c1-8-3-2-6-10(8)11-9(7-8)4-5-9/h2-7H2,1H3/t8-/m1/s1
InChIKeyQOFYCKVPJMRNEO-MRVPVSSYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane] with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]?
The IUPAC name of (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane] (CID 15937516) is (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane].
What is the SMILES notation for (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]?
The canonical SMILES for (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane] is C[C@]12CCCN1OC1(CC1)C2.
What is the InChIKey of (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]?
The InChIKey is QOFYCKVPJMRNEO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-3-2-6-10(8)11-9(7-8)4-5-9/h2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane]?
(3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane] has a molecular weight of 153.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a-methylspiro[3,4,5,6-tetrahydropyrrolo[1,2-b][1,2]oxazole-2,1'-cyclopropane] is sourced from PubChem (CID 15937516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).