(7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one

C15H23NO2 — CID 138970370

IUPAC(7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESO=C1CC[C@]2(CC3CC3)OCC3(CCCCC3)N12
InChIInChI=1S/C15H23NO2/c17-13-6-9-15(10-12-4-5-12)16(13)14(11-18-15)7-2-1-3-8-14/h12H,1-11H2/t15-/m1/s1
InChIKeyDQZOPSUZLHQVCM-OAHLLOKOSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds2

About (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one

(7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one (PubChem CID 138970370) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name(7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
PubChem CID138970370
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESO=C1CC[C@]2(CC3CC3)OCC3(CCCCC3)N12
InChIInChI=1S/C15H23NO2/c17-13-6-9-15(10-12-4-5-12)16(13)14(11-18-15)7-2-1-3-8-14/h12H,1-11H2/t15-/m1/s1
InChIKeyDQZOPSUZLHQVCM-OAHLLOKOSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-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

(7aR)-7a-(trifluoromethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969856
7a'-Isobutyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930402
(7aS)-7a-methylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969721
(7aS)-7a-propylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969722
(7aR)-7a-cyclohexylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969724
methyl 3-[(7aR)-5-oxospiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-7a-yl]propanoate
CID 138969859
(7aS)-7,7a-dimethylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969861
CID 138970170
CID 138970170
(6R,7aS)-7a-ethyl-6-methylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138970521
(7aS)-7a-ethylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138970522

Frequently Asked Questions

What is the IUPAC name of (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one?
The IUPAC name of (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one (CID 138970370) is (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one.
What is the SMILES notation for (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one?
The canonical SMILES for (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one is O=C1CC[C@]2(CC3CC3)OCC3(CCCCC3)N12.
What is the InChIKey of (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one?
The InChIKey is DQZOPSUZLHQVCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO2/c17-13-6-9-15(10-12-4-5-12)16(13)14(11-18-15)7-2-1-3-8-14/h12H,1-11H2/t15-/m1/s1.
What are the key properties of (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one?
(7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one has a molecular weight of 249.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one is sourced from PubChem (CID 138970370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).