[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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol
CID 106299445
[4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol
CID 114170346
(3-pyrrolidin-1-yloxolan-3-yl)methanol
CID 131165992
1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione
CID 106299559
CID 59369539
CID 59369539
2-[4-(hydroxymethyl)oxan-4-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 106299471
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
CID 164534379
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353
[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol
CID 63333605
[1-(azepan-1-yl)cyclopentyl]methanol
CID 104549393
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647

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).