(3-Methylpyrrolidin-3-yl)methanol

C6H13NO — CID 57600095

IUPAC(3-methylpyrrolidin-3-yl)methanol
SMILESCC1(CCNC1)CO
InChIInChI=1S/C6H13NO/c1-6(5-8)2-3-7-4-6/h7-8H,2-5H2,1H3
InChIKeyZBNGYAJEJQZYNL-UHFFFAOYSA-N
MW115.17 g/mol
LogP-0.10
Rot. Bonds1

About (3-Methylpyrrolidin-3-yl)methanol

(3-Methylpyrrolidin-3-yl)methanol (PubChem CID 57600095) has the molecular formula C6H13NO and a molecular weight of 115.17 g/mol. Its IUPAC name is (3-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-Methylpyrrolidin-3-yl)methanol
PubChem CID57600095
Molecular FormulaC6H13NO
Molecular Weight115.17 g/mol
Exact Mass115.10
IUPAC Name(3-methylpyrrolidin-3-yl)methanol
SMILESCC1(CCNC1)CO
InChIInChI=1S/C6H13NO/c1-6(5-8)2-3-7-4-6/h7-8H,2-5H2,1H3
InChIKeyZBNGYAJEJQZYNL-UHFFFAOYSA-N
XLogP-0.10
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity84

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-Methylpyrrolidin-3-yl)methanol?
The IUPAC name of (3-Methylpyrrolidin-3-yl)methanol (CID 57600095) is (3-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-Methylpyrrolidin-3-yl)methanol?
The canonical SMILES for (3-Methylpyrrolidin-3-yl)methanol is CC1(CCNC1)CO.
What is the InChIKey of (3-Methylpyrrolidin-3-yl)methanol?
The InChIKey is ZBNGYAJEJQZYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(5-8)2-3-7-4-6/h7-8H,2-5H2,1H3.
What are the key properties of (3-Methylpyrrolidin-3-yl)methanol?
(3-Methylpyrrolidin-3-yl)methanol has a molecular weight of 115.17 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 (3-Methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 57600095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).