(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol

C6H11NO — CID 58782012

IUPAC(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
SMILESCC1=CC(CO)NC1
InChIInChI=1S/C6H11NO/c1-5-2-6(4-8)7-3-5/h2,6-8H,3-4H2,1H3
InChIKeyVNUFDUIZZPAFOH-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.10
Rot. Bonds1

About (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol

(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol (PubChem CID 58782012) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
PubChem CID58782012
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
SMILESCC1=CC(CO)NC1
InChIInChI=1S/C6H11NO/c1-5-2-6(4-8)7-3-5/h2,6-8H,3-4H2,1H3
InChIKeyVNUFDUIZZPAFOH-UHFFFAOYSA-N
XLogP-0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The IUPAC name of (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol (CID 58782012) is (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol is CC1=CC(CO)NC1.
What is the InChIKey of (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The InChIKey is VNUFDUIZZPAFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-6(4-8)7-3-5/h2,6-8H,3-4H2,1H3.
What are the key properties of (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol has a molecular weight of 113.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 58782012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).