[1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol

C11H19NO3 — CID 114459603

IUPAC[1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol
SMILESCCOC(Cn1cccc1CO)OCC
InChIInChI=1S/C11H19NO3/c1-3-14-11(15-4-2)8-12-7-5-6-10(12)9-13/h5-7,11,13H,3-4,8-9H2,1-2H3
InChIKeyYLOZKVQSDSCSSX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds7

About [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol

[1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol (PubChem CID 114459603) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol
PubChem CID114459603
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol
SMILESCCOC(Cn1cccc1CO)OCC
InChIInChI=1S/C11H19NO3/c1-3-14-11(15-4-2)8-12-7-5-6-10(12)9-13/h5-7,11,13H,3-4,8-9H2,1-2H3
InChIKeyYLOZKVQSDSCSSX-UHFFFAOYSA-N
XLogP1.38
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol (CID 114459603) is [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol is CCOC(Cn1cccc1CO)OCC.
What is the InChIKey of [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol?
The InChIKey is YLOZKVQSDSCSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-14-11(15-4-2)8-12-7-5-6-10(12)9-13/h5-7,11,13H,3-4,8-9H2,1-2H3.
What are the key properties of [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol?
[1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol has a molecular weight of 213.28 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 114459603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).