2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol

C15H20N2O — CID 79097183

IUPAC2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(CCc2ccccn2)c1
InChIInChI=1S/C15H20N2O/c1-12(2)15(18)13-6-9-17(11-13)10-7-14-5-3-4-8-16-14/h3-6,8-9,11-12,15,18H,7,10H2,1-2H3
InChIKeyGFDUIBJYLBFZJA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.82
Rot. Bonds5

About 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol (PubChem CID 79097183) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol
PubChem CID79097183
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(CCc2ccccn2)c1
InChIInChI=1S/C15H20N2O/c1-12(2)15(18)13-6-9-17(11-13)10-7-14-5-3-4-8-16-14/h3-6,8-9,11-12,15,18H,7,10H2,1-2H3
InChIKeyGFDUIBJYLBFZJA-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109741
N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
CID 79103588
2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol
CID 79096945
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one
CID 82907186
2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
CID 79097185
N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097553
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol
CID 167904939
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 79102960
3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid
CID 102604824

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol (CID 79097183) is 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol is CC(C)C(O)c1ccn(CCc2ccccn2)c1.
What is the InChIKey of 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol?
The InChIKey is GFDUIBJYLBFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)15(18)13-6-9-17(11-13)10-7-14-5-3-4-8-16-14/h3-6,8-9,11-12,15,18H,7,10H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79097183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).