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

C10H19NO — CID 106291203

IUPAC1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CN1CC=CC1
InChIInChI=1S/C10H19NO/c1-3-6-10(2,12)9-11-7-4-5-8-11/h4-5,12H,3,6-9H2,1-2H3
InChIKeyFNZXISBVSOBZPA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds4

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

1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol (PubChem CID 106291203) 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-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol
PubChem CID106291203
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CN1CC=CC1
InChIInChI=1S/C10H19NO/c1-3-6-10(2,12)9-11-7-4-5-8-11/h4-5,12H,3,6-9H2,1-2H3
InChIKeyFNZXISBVSOBZPA-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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-(azepan-1-yl)-2-methylpentan-2-ol
CID 106291182
4-(2,5-dihydropyrrol-1-yl)-2,3,3-trimethylbutan-2-ol
CID 130847371
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol
CID 106291187
3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione
CID 103936406
1-(2,5-dihydropyrrol-1-yl)-4,4-dimethylpentan-2-ol
CID 107155461
2-(2-hydroxy-2-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106291195
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
sodium;hydride;3-methylhexan-3-ol
CID 175384887
2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
CID 114495323
4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine
CID 131182970
1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol
CID 104549849
[1-(2,5-dihydropyrrol-1-yl)-2-methylpropan-2-yl] formate
CID 174485702

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol (CID 106291203) is 1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol is CCCC(C)(O)CN1CC=CC1.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol?
The InChIKey is FNZXISBVSOBZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-6-10(2,12)9-11-7-4-5-8-11/h4-5,12H,3,6-9H2,1-2H3.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol?
1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 4 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-methylpentan-2-ol is sourced from PubChem (CID 106291203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).