4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol

C11H21NO — CID 130847371

IUPAC4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)CN1CC=CC1
InChIInChI=1S/C11H21NO/c1-10(2,11(3,4)13)9-12-7-5-6-8-12/h5-6,13H,7-9H2,1-4H3
InChIKeyMUQNLYBQKYERKY-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds3

About 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol

4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol (PubChem CID 130847371) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol
PubChem CID130847371
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)CN1CC=CC1
InChIInChI=1S/C11H21NO/c1-10(2,11(3,4)13)9-12-7-5-6-8-12/h5-6,13H,7-9H2,1-4H3
InChIKeyMUQNLYBQKYERKY-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
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 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol (CID 130847371) is 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol is CC(C)(O)C(C)(C)CN1CC=CC1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol?
The InChIKey is MUQNLYBQKYERKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,11(3,4)13)9-12-7-5-6-8-12/h5-6,13H,7-9H2,1-4H3.
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol?
4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 130847371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).