[4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol

C10H17NO2 — CID 106299504

IUPAC[4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol
SMILESOCC1(N2CC=CC2)CCOCC1
InChIInChI=1S/C10H17NO2/c12-9-10(3-7-13-8-4-10)11-5-1-2-6-11/h1-2,12H,3-9H2
InChIKeyCAPQQHRIRKQPGT-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.40
Rot. Bonds2

About [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol

[4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol (PubChem CID 106299504) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol
PubChem CID106299504
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol
SMILESOCC1(N2CC=CC2)CCOCC1
InChIInChI=1S/C10H17NO2/c12-9-10(3-7-13-8-4-10)11-5-1-2-6-11/h1-2,12H,3-9H2
InChIKeyCAPQQHRIRKQPGT-UHFFFAOYSA-N
XLogP0.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol?
The IUPAC name of [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol (CID 106299504) is [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol?
The canonical SMILES for [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol is OCC1(N2CC=CC2)CCOCC1.
What is the InChIKey of [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol?
The InChIKey is CAPQQHRIRKQPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9-10(3-7-13-8-4-10)11-5-1-2-6-11/h1-2,12H,3-9H2.
What are the key properties of [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol?
[4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol has a molecular weight of 183.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol is sourced from PubChem (CID 106299504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).