7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

C10H19NO — CID 71436217

IUPAC7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESCC(C)C1COC2(C)CCCN12
InChIInChI=1S/C10H19NO/c1-8(2)9-7-12-10(3)5-4-6-11(9)10/h8-9H,4-7H2,1-3H3
InChIKeyJZQYXDMVPAMQMV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds1

About 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (PubChem CID 71436217) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
PubChem CID71436217
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESCC(C)C1COC2(C)CCCN12
InChIInChI=1S/C10H19NO/c1-8(2)9-7-12-10(3)5-4-6-11(9)10/h8-9H,4-7H2,1-3H3
InChIKeyJZQYXDMVPAMQMV-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,7aS)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 928831
5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane
CID 102493975
3,4-di(propan-2-yl)-1,4-oxazepane
CID 123714088
(3S,6S,7aR)-7a-methyl-3-propan-2-yl-6-prop-2-enyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 6711340
lithium (3S,7aR)-3-propan-2-yl-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-olate
CID 101337692
(3S,7aR)-6-(3-chloropropyl)-6,7a-dimethyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 10446002
6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane
CID 176800871
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
2-ethenyl-2-methyl-1-propan-2-ylpyrrolidine
CID 129119781
ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine
CID 170772142
(4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine
CID 130730837

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The IUPAC name of 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (CID 71436217) is 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.
What is the SMILES notation for 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The canonical SMILES for 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is CC(C)C1COC2(C)CCCN12.
What is the InChIKey of 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The InChIKey is JZQYXDMVPAMQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9-7-12-10(3)5-4-6-11(9)10/h8-9H,4-7H2,1-3H3.
What are the key properties of 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole has a molecular weight of 169.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is sourced from PubChem (CID 71436217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).