(5-ethyl-1-propylpyrrol-2-yl)methanol

C10H17NO — CID 100792529

IUPAC(5-ethyl-1-propylpyrrol-2-yl)methanol
SMILESCCCn1c(CC)ccc1CO
InChIInChI=1S/C10H17NO/c1-3-7-11-9(4-2)5-6-10(11)8-12/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeyNXUUEWFBPXYILT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.95
Rot. Bonds4

About (5-ethyl-1-propylpyrrol-2-yl)methanol

(5-ethyl-1-propylpyrrol-2-yl)methanol (PubChem CID 100792529) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (5-ethyl-1-propylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-1-propylpyrrol-2-yl)methanol
PubChem CID100792529
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(5-ethyl-1-propylpyrrol-2-yl)methanol
SMILESCCCn1c(CC)ccc1CO
InChIInChI=1S/C10H17NO/c1-3-7-11-9(4-2)5-6-10(11)8-12/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeyNXUUEWFBPXYILT-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-propylpyrrol-2-yl)methanol?
The IUPAC name of (5-ethyl-1-propylpyrrol-2-yl)methanol (CID 100792529) is (5-ethyl-1-propylpyrrol-2-yl)methanol.
What is the SMILES notation for (5-ethyl-1-propylpyrrol-2-yl)methanol?
The canonical SMILES for (5-ethyl-1-propylpyrrol-2-yl)methanol is CCCn1c(CC)ccc1CO.
What is the InChIKey of (5-ethyl-1-propylpyrrol-2-yl)methanol?
The InChIKey is NXUUEWFBPXYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-7-11-9(4-2)5-6-10(11)8-12/h5-6,12H,3-4,7-8H2,1-2H3.
What are the key properties of (5-ethyl-1-propylpyrrol-2-yl)methanol?
(5-ethyl-1-propylpyrrol-2-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-propylpyrrol-2-yl)methanol is sourced from PubChem (CID 100792529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).