1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol

C11H21NO — CID 107155461

IUPAC1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CN1CC=CC1
InChIInChI=1S/C11H21NO/c1-11(2,3)8-10(13)9-12-6-4-5-7-12/h4-5,10,13H,6-9H2,1-3H3
InChIKeyOVNZDUYNUGADFA-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds3

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

1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol (PubChem CID 107155461) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol
PubChem CID107155461
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CN1CC=CC1
InChIInChI=1S/C11H21NO/c1-11(2,3)8-10(13)9-12-6-4-5-7-12/h4-5,10,13H,6-9H2,1-3H3
InChIKeyOVNZDUYNUGADFA-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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Related Compounds

1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol
CID 106288750
1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol
CID 106291203
2-(2-hydroxy-4,4-dimethylpentyl)-4,7-dimethylisoindole-1,3-dione
CID 107155469
1-(2-hydroxy-4,4-dimethylpentyl)-3,4-dimethylpyrrole-2,5-dione
CID 107155503
4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol
CID 130847371
3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one
CID 107159444
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993
2,2,8,8-tetramethylnonan-4-ol
CID 19931283
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
(7S)-2,2,7-trimethylnonan-4-ol
CID 168764974
N-ethyl-2-[(2-hydroxy-4,4-dimethylpentyl)amino]acetamide
CID 107152097

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol (CID 107155461) is 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CN1CC=CC1.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol?
The InChIKey is OVNZDUYNUGADFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)8-10(13)9-12-6-4-5-7-12/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol?
1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-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 1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107155461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).