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

C7H13NO — CID 20689470

IUPAC2-(2,5-dihydropyrrol-1-yl)propan-1-ol
SMILESCC(CO)N1CC=CC1
InChIInChI=1S/C7H13NO/c1-7(6-9)8-4-2-3-5-8/h2-3,7,9H,4-6H2,1H3
InChIKeyAWPPGPUHRHPLHZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.24
Rot. Bonds2

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

2-(2,5-dihydropyrrol-1-yl)propan-1-ol (PubChem CID 20689470) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-yl)propan-1-ol
PubChem CID20689470
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(2,5-dihydropyrrol-1-yl)propan-1-ol
SMILESCC(CO)N1CC=CC1
InChIInChI=1S/C7H13NO/c1-7(6-9)8-4-2-3-5-8/h2-3,7,9H,4-6H2,1H3
InChIKeyAWPPGPUHRHPLHZ-UHFFFAOYSA-N
XLogP0.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.24
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 2-(2,5-dihydropyrrol-1-yl)propan-1-ol?
The IUPAC name of 2-(2,5-dihydropyrrol-1-yl)propan-1-ol (CID 20689470) is 2-(2,5-dihydropyrrol-1-yl)propan-1-ol.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-yl)propan-1-ol?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-yl)propan-1-ol is CC(CO)N1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-yl)propan-1-ol?
The InChIKey is AWPPGPUHRHPLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(6-9)8-4-2-3-5-8/h2-3,7,9H,4-6H2,1H3.
What are the key properties of 2-(2,5-dihydropyrrol-1-yl)propan-1-ol?
2-(2,5-dihydropyrrol-1-yl)propan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-yl)propan-1-ol is sourced from PubChem (CID 20689470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).