1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole

C10H17NO — CID 118551783

IUPAC1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)C1=CCN(C2COC2)C1
InChIInChI=1S/C10H17NO/c1-8(2)9-3-4-11(5-9)10-6-12-7-10/h3,8,10H,4-7H2,1-2H3
InChIKeyBWUSPYRAAYVJBX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.28
Rot. Bonds2

About 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole

1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole (PubChem CID 118551783) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole
PubChem CID118551783
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)C1=CCN(C2COC2)C1
InChIInChI=1S/C10H17NO/c1-8(2)9-3-4-11(5-9)10-6-12-7-10/h3,8,10H,4-7H2,1-2H3
InChIKeyBWUSPYRAAYVJBX-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole?
The IUPAC name of 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole (CID 118551783) is 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole?
The canonical SMILES for 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole is CC(C)C1=CCN(C2COC2)C1.
What is the InChIKey of 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole?
The InChIKey is BWUSPYRAAYVJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)9-3-4-11(5-9)10-6-12-7-10/h3,8,10H,4-7H2,1-2H3.
What are the key properties of 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole?
1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole has a molecular weight of 167.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 118551783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).