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

C15H25NO2 — CID 91930402

IUPAC7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESCC(C)CC12CCC(=O)N1C1(CCCCC1)OC2
InChIInChI=1S/C15H25NO2/c1-12(2)10-14-9-6-13(17)16(14)15(18-11-14)7-4-3-5-8-15/h12H,3-11H2,1-2H3
InChIKeyZXWMQEHBQZHKHS-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.08
Rot. Bonds2

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

7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one (PubChem CID 91930402) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
PubChem CID91930402
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESCC(C)CC12CCC(=O)N1C1(CCCCC1)OC2
InChIInChI=1S/C15H25NO2/c1-12(2)10-14-9-6-13(17)16(14)15(18-11-14)7-4-3-5-8-15/h12H,3-11H2,1-2H3
InChIKeyZXWMQEHBQZHKHS-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7a'-Propyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930377
7a'-Ethyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930387
7a'-Methyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930399
(7S,7a'S)-7',7a'-Dimethyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91932523
(6'R*,7a'S*)-7a'-Ethyl-6'-methyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91932537
2-(5'-Oxodihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-7a'(5'H)-yl)ethyl acetate
CID 91932546
(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
(7aS)-7,7a-dimethylspiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969861
(7aR)-7a-(cyclopropylmethyl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138970370
(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 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The IUPAC name of 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one (CID 91930402) is 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one.
What is the SMILES notation for 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The canonical SMILES for 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one is CC(C)CC12CCC(=O)N1C1(CCCCC1)OC2.
What is the InChIKey of 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The InChIKey is ZXWMQEHBQZHKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)10-14-9-6-13(17)16(14)15(18-11-14)7-4-3-5-8-15/h12H,3-11H2,1-2H3.
What are the key properties of 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one has a molecular weight of 251.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(2-methylpropyl)spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one is sourced from PubChem (CID 91930402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).