[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol

C8H11NO2 — CID 116829727

IUPAC[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol
SMILESOCC1(c2cc[nH]c2)COC1
InChIInChI=1S/C8H11NO2/c10-4-8(5-11-6-8)7-1-2-9-3-7/h1-3,9-10H,4-6H2
InChIKeyILWWRTDEJBCQRX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.28
Rot. Bonds2

About [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol

[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol (PubChem CID 116829727) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol
PubChem CID116829727
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol
SMILESOCC1(c2cc[nH]c2)COC1
InChIInChI=1S/C8H11NO2/c10-4-8(5-11-6-8)7-1-2-9-3-7/h1-3,9-10H,4-6H2
InChIKeyILWWRTDEJBCQRX-UHFFFAOYSA-N
XLogP0.28
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol?
The IUPAC name of [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol (CID 116829727) is [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol is OCC1(c2cc[nH]c2)COC1.
What is the InChIKey of [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol?
The InChIKey is ILWWRTDEJBCQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-4-8(5-11-6-8)7-1-2-9-3-7/h1-3,9-10H,4-6H2.
What are the key properties of [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol?
[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol has a molecular weight of 153.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol is sourced from PubChem (CID 116829727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).