3-pyrrol-1-ylpropan-1-ol

C7H11NO — CID 12794991

IUPAC3-pyrrol-1-ylpropan-1-ol
SMILESOCCCn1cccc1
InChIInChI=1S/C7H11NO/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,9H,3,6-7H2
InChIKeyORCXGLCMROHGOM-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.87
Rot. Bonds3

About 3-pyrrol-1-ylpropan-1-ol

3-pyrrol-1-ylpropan-1-ol (PubChem CID 12794991) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-pyrrol-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-pyrrol-1-ylpropan-1-ol
PubChem CID12794991
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-pyrrol-1-ylpropan-1-ol
SMILESOCCCn1cccc1
InChIInChI=1S/C7H11NO/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,9H,3,6-7H2
InChIKeyORCXGLCMROHGOM-UHFFFAOYSA-N
XLogP0.87
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylpropan-1-ol?
The IUPAC name of 3-pyrrol-1-ylpropan-1-ol (CID 12794991) is 3-pyrrol-1-ylpropan-1-ol.
What is the SMILES notation for 3-pyrrol-1-ylpropan-1-ol?
The canonical SMILES for 3-pyrrol-1-ylpropan-1-ol is OCCCn1cccc1.
What is the InChIKey of 3-pyrrol-1-ylpropan-1-ol?
The InChIKey is ORCXGLCMROHGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,9H,3,6-7H2.
What are the key properties of 3-pyrrol-1-ylpropan-1-ol?
3-pyrrol-1-ylpropan-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylpropan-1-ol is sourced from PubChem (CID 12794991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).