4-methyl-2-pyrrol-1-ylpentan-1-ol

C10H17NO — CID 104549267

IUPAC4-methyl-2-pyrrol-1-ylpentan-1-ol
SMILESCC(C)CC(CO)n1cccc1
InChIInChI=1S/C10H17NO/c1-9(2)7-10(8-12)11-5-3-4-6-11/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyDWPGKYWYIKHIGN-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.07
Rot. Bonds4

About 4-methyl-2-pyrrol-1-ylpentan-1-ol

4-methyl-2-pyrrol-1-ylpentan-1-ol (PubChem CID 104549267) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-methyl-2-pyrrol-1-ylpentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-pyrrol-1-ylpentan-1-ol
PubChem CID104549267
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-methyl-2-pyrrol-1-ylpentan-1-ol
SMILESCC(C)CC(CO)n1cccc1
InChIInChI=1S/C10H17NO/c1-9(2)7-10(8-12)11-5-3-4-6-11/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyDWPGKYWYIKHIGN-UHFFFAOYSA-N
XLogP2.07
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrol-1-ylpentan-1-ol?
The IUPAC name of 4-methyl-2-pyrrol-1-ylpentan-1-ol (CID 104549267) is 4-methyl-2-pyrrol-1-ylpentan-1-ol.
What is the SMILES notation for 4-methyl-2-pyrrol-1-ylpentan-1-ol?
The canonical SMILES for 4-methyl-2-pyrrol-1-ylpentan-1-ol is CC(C)CC(CO)n1cccc1.
What is the InChIKey of 4-methyl-2-pyrrol-1-ylpentan-1-ol?
The InChIKey is DWPGKYWYIKHIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)7-10(8-12)11-5-3-4-6-11/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of 4-methyl-2-pyrrol-1-ylpentan-1-ol?
4-methyl-2-pyrrol-1-ylpentan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrol-1-ylpentan-1-ol is sourced from PubChem (CID 104549267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).