(1-methylpyrrolidin-3-yl)methanediol

C6H13NO2 — CID 21366500

IUPAC(1-methylpyrrolidin-3-yl)methanediol
SMILESCN1CCC(C(O)O)C1
InChIInChI=1S/C6H13NO2/c1-7-3-2-5(4-7)6(8)9/h5-6,8-9H,2-4H2,1H3
InChIKeyHKPOSYZJOFMJOW-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.75
Rot. Bonds1

About (1-methylpyrrolidin-3-yl)methanediol

(1-methylpyrrolidin-3-yl)methanediol (PubChem CID 21366500) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)methanediol.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)methanediol
PubChem CID21366500
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(1-methylpyrrolidin-3-yl)methanediol
SMILESCN1CCC(C(O)O)C1
InChIInChI=1S/C6H13NO2/c1-7-3-2-5(4-7)6(8)9/h5-6,8-9H,2-4H2,1H3
InChIKeyHKPOSYZJOFMJOW-UHFFFAOYSA-N
XLogP-0.75
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)methanediol?
The IUPAC name of (1-methylpyrrolidin-3-yl)methanediol (CID 21366500) is (1-methylpyrrolidin-3-yl)methanediol.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)methanediol?
The canonical SMILES for (1-methylpyrrolidin-3-yl)methanediol is CN1CCC(C(O)O)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)methanediol?
The InChIKey is HKPOSYZJOFMJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-3-2-5(4-7)6(8)9/h5-6,8-9H,2-4H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl)methanediol?
(1-methylpyrrolidin-3-yl)methanediol has a molecular weight of 131.18 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)methanediol is sourced from PubChem (CID 21366500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).