(5-methylpyrrolidin-3-yl)methanol

C6H13NO — CID 23009871

IUPAC(5-methylpyrrolidin-3-yl)methanol
SMILESCC1CC(CO)CN1
InChIInChI=1S/C6H13NO/c1-5-2-6(4-8)3-7-5/h5-8H,2-4H2,1H3
InChIKeySHTKAZQCRDTBLT-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.02
Rot. Bonds1

About (5-methylpyrrolidin-3-yl)methanol

(5-methylpyrrolidin-3-yl)methanol (PubChem CID 23009871) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (5-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(5-methylpyrrolidin-3-yl)methanol
PubChem CID23009871
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(5-methylpyrrolidin-3-yl)methanol
SMILESCC1CC(CO)CN1
InChIInChI=1S/C6H13NO/c1-5-2-6(4-8)3-7-5/h5-8H,2-4H2,1H3
InChIKeySHTKAZQCRDTBLT-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrrolidin-3-yl)methanol?
The IUPAC name of (5-methylpyrrolidin-3-yl)methanol (CID 23009871) is (5-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (5-methylpyrrolidin-3-yl)methanol?
The canonical SMILES for (5-methylpyrrolidin-3-yl)methanol is CC1CC(CO)CN1.
What is the InChIKey of (5-methylpyrrolidin-3-yl)methanol?
The InChIKey is SHTKAZQCRDTBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-2-6(4-8)3-7-5/h5-8H,2-4H2,1H3.
What are the key properties of (5-methylpyrrolidin-3-yl)methanol?
(5-methylpyrrolidin-3-yl)methanol has a molecular weight of 115.18 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 23009871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).