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

C9H15NO — CID 100793005

IUPAC(1-methyl-5-propylpyrrol-2-yl)methanol
SMILESCCCc1ccc(CO)n1C
InChIInChI=1S/C9H15NO/c1-3-4-8-5-6-9(7-11)10(8)2/h5-6,11H,3-4,7H2,1-2H3
InChIKeyMQRAKESRYLVAEH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.47
Rot. Bonds3

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

(1-methyl-5-propylpyrrol-2-yl)methanol (PubChem CID 100793005) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1-methyl-5-propylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-5-propylpyrrol-2-yl)methanol
PubChem CID100793005
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1-methyl-5-propylpyrrol-2-yl)methanol
SMILESCCCc1ccc(CO)n1C
InChIInChI=1S/C9H15NO/c1-3-4-8-5-6-9(7-11)10(8)2/h5-6,11H,3-4,7H2,1-2H3
InChIKeyMQRAKESRYLVAEH-UHFFFAOYSA-N
XLogP1.47
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propylpyrrol-2-yl)methanol?
The IUPAC name of (1-methyl-5-propylpyrrol-2-yl)methanol (CID 100793005) is (1-methyl-5-propylpyrrol-2-yl)methanol.
What is the SMILES notation for (1-methyl-5-propylpyrrol-2-yl)methanol?
The canonical SMILES for (1-methyl-5-propylpyrrol-2-yl)methanol is CCCc1ccc(CO)n1C.
What is the InChIKey of (1-methyl-5-propylpyrrol-2-yl)methanol?
The InChIKey is MQRAKESRYLVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-8-5-6-9(7-11)10(8)2/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of (1-methyl-5-propylpyrrol-2-yl)methanol?
(1-methyl-5-propylpyrrol-2-yl)methanol has a molecular weight of 153.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propylpyrrol-2-yl)methanol is sourced from PubChem (CID 100793005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).