2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol

C6H11NO2 — CID 156837370

IUPAC2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol
SMILESCC1=C(O)NC(CO)C1
InChIInChI=1S/C6H11NO2/c1-4-2-5(3-8)7-6(4)9/h5,7-9H,2-3H2,1H3
InChIKeyJFZHSWQGUBNPRN-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.13
Rot. Bonds1

About 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol

2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol (PubChem CID 156837370) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol
PubChem CID156837370
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol
SMILESCC1=C(O)NC(CO)C1
InChIInChI=1S/C6H11NO2/c1-4-2-5(3-8)7-6(4)9/h5,7-9H,2-3H2,1H3
InChIKeyJFZHSWQGUBNPRN-UHFFFAOYSA-N
XLogP0.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol (CID 156837370) is 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol is CC1=C(O)NC(CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol?
The InChIKey is JFZHSWQGUBNPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-5(3-8)7-6(4)9/h5,7-9H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol?
2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol has a molecular weight of 129.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-pyrrol-5-ol is sourced from PubChem (CID 156837370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).