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

C11H21NO — CID 106288750

IUPAC1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CN1CC=CC1
InChIInChI=1S/C11H21NO/c1-3-10(4-2)11(13)9-12-7-5-6-8-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3
InChIKeyMWJTZNOQEMIKJG-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds5

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

1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol (PubChem CID 106288750) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol
PubChem CID106288750
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CN1CC=CC1
InChIInChI=1S/C11H21NO/c1-3-10(4-2)11(13)9-12-7-5-6-8-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3
InChIKeyMWJTZNOQEMIKJG-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
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

3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol
CID 106288664
1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol
CID 107155461
ethane;4-ethylhexan-3-ol
CID 142939598
4-ethylhexane-1,3-diol
CID 57229845
1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 106288772
5-ethylheptane-2,4-diol
CID 87867419
1-(tert-butylamino)-3-ethylpentan-2-ol
CID 62775304
3-ethyl-1-methoxypentan-2-ol
CID 79568083
3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol
CID 103501727
methane;propane-1,1-diol
CID 157390682
(4R)-5-ethylhept-1-yn-4-ol
CID 130123346
1-pentyl-2,5-dihydropyrrole
CID 69341797

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol (CID 106288750) is 1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol is CCC(CC)C(O)CN1CC=CC1.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol?
The InChIKey is MWJTZNOQEMIKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(4-2)11(13)9-12-7-5-6-8-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol?
1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol has a molecular weight of 183.30 g/mol, XLogP of 1.66, 5 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)-3-ethylpentan-2-ol is sourced from PubChem (CID 106288750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).