1-(1H-pyrrol-3-yl)propan-2-ol

C7H11NO — CID 83675139

IUPAC1-(1H-pyrrol-3-yl)propan-2-ol
SMILESCC(O)Cc1cc[nH]c1
InChIInChI=1S/C7H11NO/c1-6(9)4-7-2-3-8-5-7/h2-3,5-6,8-9H,4H2,1H3
InChIKeyCJYCXKDNBPAWJG-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.94
Rot. Bonds2

About 1-(1H-pyrrol-3-yl)propan-2-ol

1-(1H-pyrrol-3-yl)propan-2-ol (PubChem CID 83675139) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)propan-2-ol
PubChem CID83675139
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(1H-pyrrol-3-yl)propan-2-ol
SMILESCC(O)Cc1cc[nH]c1
InChIInChI=1S/C7H11NO/c1-6(9)4-7-2-3-8-5-7/h2-3,5-6,8-9H,4H2,1H3
InChIKeyCJYCXKDNBPAWJG-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)propan-2-ol?
The IUPAC name of 1-(1H-pyrrol-3-yl)propan-2-ol (CID 83675139) is 1-(1H-pyrrol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)propan-2-ol?
The canonical SMILES for 1-(1H-pyrrol-3-yl)propan-2-ol is CC(O)Cc1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)propan-2-ol?
The InChIKey is CJYCXKDNBPAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(9)4-7-2-3-8-5-7/h2-3,5-6,8-9H,4H2,1H3.
What are the key properties of 1-(1H-pyrrol-3-yl)propan-2-ol?
1-(1H-pyrrol-3-yl)propan-2-ol has a molecular weight of 125.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)propan-2-ol is sourced from PubChem (CID 83675139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).