5-methyl-1-pyrrol-1-ylhexan-3-ol

C11H19NO — CID 141200579

IUPAC5-methyl-1-pyrrol-1-ylhexan-3-ol
SMILESCC(C)CC(O)CCn1cccc1
InChIInChI=1S/C11H19NO/c1-10(2)9-11(13)5-8-12-6-3-4-7-12/h3-4,6-7,10-11,13H,5,8-9H2,1-2H3
InChIKeyXNCKOJQDGROOAI-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.29
Rot. Bonds5

About 5-methyl-1-pyrrol-1-ylhexan-3-ol

5-methyl-1-pyrrol-1-ylhexan-3-ol (PubChem CID 141200579) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methyl-1-pyrrol-1-ylhexan-3-ol.

Molecular Properties

Compound Name5-methyl-1-pyrrol-1-ylhexan-3-ol
PubChem CID141200579
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-methyl-1-pyrrol-1-ylhexan-3-ol
SMILESCC(C)CC(O)CCn1cccc1
InChIInChI=1S/C11H19NO/c1-10(2)9-11(13)5-8-12-6-3-4-7-12/h3-4,6-7,10-11,13H,5,8-9H2,1-2H3
InChIKeyXNCKOJQDGROOAI-UHFFFAOYSA-N
XLogP2.29
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyrrol-1-ylhexan-3-ol?
The IUPAC name of 5-methyl-1-pyrrol-1-ylhexan-3-ol (CID 141200579) is 5-methyl-1-pyrrol-1-ylhexan-3-ol.
What is the SMILES notation for 5-methyl-1-pyrrol-1-ylhexan-3-ol?
The canonical SMILES for 5-methyl-1-pyrrol-1-ylhexan-3-ol is CC(C)CC(O)CCn1cccc1.
What is the InChIKey of 5-methyl-1-pyrrol-1-ylhexan-3-ol?
The InChIKey is XNCKOJQDGROOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)9-11(13)5-8-12-6-3-4-7-12/h3-4,6-7,10-11,13H,5,8-9H2,1-2H3.
What are the key properties of 5-methyl-1-pyrrol-1-ylhexan-3-ol?
5-methyl-1-pyrrol-1-ylhexan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyrrol-1-ylhexan-3-ol is sourced from PubChem (CID 141200579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).