2-propyl-1H-pyrrol-3-ol

C7H11NO — CID 70540256

IUPAC2-propyl-1H-pyrrol-3-ol
SMILESCCCc1[nH]ccc1O
InChIInChI=1S/C7H11NO/c1-2-3-6-7(9)4-5-8-6/h4-5,8-9H,2-3H2,1H3
InChIKeyKQINTHGGORCERL-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.67
Rot. Bonds2

About 2-propyl-1H-pyrrol-3-ol

2-propyl-1H-pyrrol-3-ol (PubChem CID 70540256) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-propyl-1H-pyrrol-3-ol.

Molecular Properties

Compound Name2-propyl-1H-pyrrol-3-ol
PubChem CID70540256
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-propyl-1H-pyrrol-3-ol
SMILESCCCc1[nH]ccc1O
InChIInChI=1S/C7H11NO/c1-2-3-6-7(9)4-5-8-6/h4-5,8-9H,2-3H2,1H3
InChIKeyKQINTHGGORCERL-UHFFFAOYSA-N
XLogP1.67
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-pyrrol-3-ol?
The IUPAC name of 2-propyl-1H-pyrrol-3-ol (CID 70540256) is 2-propyl-1H-pyrrol-3-ol.
What is the SMILES notation for 2-propyl-1H-pyrrol-3-ol?
The canonical SMILES for 2-propyl-1H-pyrrol-3-ol is CCCc1[nH]ccc1O.
What is the InChIKey of 2-propyl-1H-pyrrol-3-ol?
The InChIKey is KQINTHGGORCERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-6-7(9)4-5-8-6/h4-5,8-9H,2-3H2,1H3.
What are the key properties of 2-propyl-1H-pyrrol-3-ol?
2-propyl-1H-pyrrol-3-ol has a molecular weight of 125.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyrrol-3-ol is sourced from PubChem (CID 70540256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).