3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole

C7H11NO — CID 11007900

IUPAC3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
SMILESCC1=NOC2CCCC12
InChIInChI=1S/C7H11NO/c1-5-6-3-2-4-7(6)9-8-5/h6-7H,2-4H2,1H3
InChIKeyDPFCYCICQPBSFE-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.56
Rot. Bonds

About 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole

3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole (PubChem CID 11007900) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole.

Molecular Properties

Compound Name3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
PubChem CID11007900
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
SMILESCC1=NOC2CCCC12
InChIInChI=1S/C7H11NO/c1-5-6-3-2-4-7(6)9-8-5/h6-7H,2-4H2,1H3
InChIKeyDPFCYCICQPBSFE-UHFFFAOYSA-N
XLogP1.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The IUPAC name of 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole (CID 11007900) is 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole.
What is the SMILES notation for 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The canonical SMILES for 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole is CC1=NOC2CCCC12.
What is the InChIKey of 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The InChIKey is DPFCYCICQPBSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-6-3-2-4-7(6)9-8-5/h6-7H,2-4H2,1H3.
What are the key properties of 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole is sourced from PubChem (CID 11007900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).