2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol

C9H17NO2 — CID 130510482

IUPAC2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol
SMILESCOC(C)C(C)(O)C1C=CCN1
InChIInChI=1S/C9H17NO2/c1-7(12-3)9(2,11)8-5-4-6-10-8/h4-5,7-8,10-11H,6H2,1-3H3
InChIKeyFBPAACNPFRDPLZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.30
Rot. Bonds3

About 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol

2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol (PubChem CID 130510482) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol
PubChem CID130510482
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol
SMILESCOC(C)C(C)(O)C1C=CCN1
InChIInChI=1S/C9H17NO2/c1-7(12-3)9(2,11)8-5-4-6-10-8/h4-5,7-8,10-11H,6H2,1-3H3
InChIKeyFBPAACNPFRDPLZ-UHFFFAOYSA-N
XLogP0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
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 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol?
The IUPAC name of 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol (CID 130510482) is 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol.
What is the SMILES notation for 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol?
The canonical SMILES for 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol is COC(C)C(C)(O)C1C=CCN1.
What is the InChIKey of 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol?
The InChIKey is FBPAACNPFRDPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(12-3)9(2,11)8-5-4-6-10-8/h4-5,7-8,10-11H,6H2,1-3H3.
What are the key properties of 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol?
2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol has a molecular weight of 171.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydro-1H-pyrrol-2-yl)-3-methoxybutan-2-ol is sourced from PubChem (CID 130510482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).