2-methyl-1-pyrrol-1-ylpropan-1-ol

C8H13NO — CID 45087800

IUPAC2-methyl-1-pyrrol-1-ylpropan-1-ol
SMILESCC(C)C(O)n1cccc1
InChIInChI=1S/C8H13NO/c1-7(2)8(10)9-5-3-4-6-9/h3-8,10H,1-2H3
InChIKeyOWDSNYDZCHRCOH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.63
Rot. Bonds2

About 2-methyl-1-pyrrol-1-ylpropan-1-ol

2-methyl-1-pyrrol-1-ylpropan-1-ol (PubChem CID 45087800) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-1-pyrrol-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-pyrrol-1-ylpropan-1-ol
PubChem CID45087800
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-methyl-1-pyrrol-1-ylpropan-1-ol
SMILESCC(C)C(O)n1cccc1
InChIInChI=1S/C8H13NO/c1-7(2)8(10)9-5-3-4-6-9/h3-8,10H,1-2H3
InChIKeyOWDSNYDZCHRCOH-UHFFFAOYSA-N
XLogP1.63
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrol-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-pyrrol-1-ylpropan-1-ol (CID 45087800) is 2-methyl-1-pyrrol-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-pyrrol-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-pyrrol-1-ylpropan-1-ol is CC(C)C(O)n1cccc1.
What is the InChIKey of 2-methyl-1-pyrrol-1-ylpropan-1-ol?
The InChIKey is OWDSNYDZCHRCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)8(10)9-5-3-4-6-9/h3-8,10H,1-2H3.
What are the key properties of 2-methyl-1-pyrrol-1-ylpropan-1-ol?
2-methyl-1-pyrrol-1-ylpropan-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrol-1-ylpropan-1-ol is sourced from PubChem (CID 45087800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).