1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol

C9H17NO — CID 104549835

IUPAC1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CC=CC1
InChIInChI=1S/C9H17NO/c1-3-9(2,11)8-10-6-4-5-7-10/h4-5,11H,3,6-8H2,1-2H3
InChIKeyYVJCXRYDDGXGKT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About 1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol

1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol (PubChem CID 104549835) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol
PubChem CID104549835
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CC=CC1
InChIInChI=1S/C9H17NO/c1-3-9(2,11)8-10-6-4-5-7-10/h4-5,11H,3,6-8H2,1-2H3
InChIKeyYVJCXRYDDGXGKT-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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-methylbutan-2-ol?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol (CID 104549835) is 1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol is CCC(C)(O)CN1CC=CC1.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol?
The InChIKey is YVJCXRYDDGXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(2,11)8-10-6-4-5-7-10/h4-5,11H,3,6-8H2,1-2H3.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol?
1-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 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-methylbutan-2-ol is sourced from PubChem (CID 104549835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).