(1-methyl-2,5-dihydropyrrol-2-yl)methanol

C6H11NO — CID 20699073

IUPAC(1-methyl-2,5-dihydropyrrol-2-yl)methanol
SMILESCN1CC=CC1CO
InChIInChI=1S/C6H11NO/c1-7-4-2-3-6(7)5-8/h2-3,6,8H,4-5H2,1H3
InChIKeyISWCFWXVLPGVIR-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.15
Rot. Bonds1

About (1-methyl-2,5-dihydropyrrol-2-yl)methanol

(1-methyl-2,5-dihydropyrrol-2-yl)methanol (PubChem CID 20699073) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1-methyl-2,5-dihydropyrrol-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-2,5-dihydropyrrol-2-yl)methanol
PubChem CID20699073
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1-methyl-2,5-dihydropyrrol-2-yl)methanol
SMILESCN1CC=CC1CO
InChIInChI=1S/C6H11NO/c1-7-4-2-3-6(7)5-8/h2-3,6,8H,4-5H2,1H3
InChIKeyISWCFWXVLPGVIR-UHFFFAOYSA-N
XLogP-0.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
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 (1-methyl-2,5-dihydropyrrol-2-yl)methanol?
The IUPAC name of (1-methyl-2,5-dihydropyrrol-2-yl)methanol (CID 20699073) is (1-methyl-2,5-dihydropyrrol-2-yl)methanol.
What is the SMILES notation for (1-methyl-2,5-dihydropyrrol-2-yl)methanol?
The canonical SMILES for (1-methyl-2,5-dihydropyrrol-2-yl)methanol is CN1CC=CC1CO.
What is the InChIKey of (1-methyl-2,5-dihydropyrrol-2-yl)methanol?
The InChIKey is ISWCFWXVLPGVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-4-2-3-6(7)5-8/h2-3,6,8H,4-5H2,1H3.
What are the key properties of (1-methyl-2,5-dihydropyrrol-2-yl)methanol?
(1-methyl-2,5-dihydropyrrol-2-yl)methanol has a molecular weight of 113.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,5-dihydropyrrol-2-yl)methanol is sourced from PubChem (CID 20699073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).