[4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol

C7H11NO2 — CID 14933711

IUPAC[4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol
SMILESCn1cc(CO)c(CO)c1
InChIInChI=1S/C7H11NO2/c1-8-2-6(4-9)7(3-8)5-10/h2-3,9-10H,4-5H2,1H3
InChIKeyIYARCYCWNMTGQN-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds2

About [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol

[4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol (PubChem CID 14933711) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol
PubChem CID14933711
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol
SMILESCn1cc(CO)c(CO)c1
InChIInChI=1S/C7H11NO2/c1-8-2-6(4-9)7(3-8)5-10/h2-3,9-10H,4-5H2,1H3
InChIKeyIYARCYCWNMTGQN-UHFFFAOYSA-N
XLogP0.01
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol (CID 14933711) is [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol is Cn1cc(CO)c(CO)c1.
What is the InChIKey of [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol?
The InChIKey is IYARCYCWNMTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-2-6(4-9)7(3-8)5-10/h2-3,9-10H,4-5H2,1H3.
What are the key properties of [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol?
[4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol has a molecular weight of 141.17 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol is sourced from PubChem (CID 14933711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).