1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol

C10H19NO — CID 130601617

IUPAC1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CC=CC1
InChIInChI=1S/C10H19NO/c1-9(2)10(3,12)8-11-6-4-5-7-11/h4-5,9,12H,6-8H2,1-3H3
InChIKeyZRNVPVAWGYMICB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds3

About 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol

1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol (PubChem CID 130601617) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol
PubChem CID130601617
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CC=CC1
InChIInChI=1S/C10H19NO/c1-9(2)10(3,12)8-11-6-4-5-7-11/h4-5,9,12H,6-8H2,1-3H3
InChIKeyZRNVPVAWGYMICB-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol (CID 130601617) is 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN1CC=CC1.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is ZRNVPVAWGYMICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)10(3,12)8-11-6-4-5-7-11/h4-5,9,12H,6-8H2,1-3H3.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol?
1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyrrol-1-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 130601617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).