4-methylpyrrolidin-3-ol

C5H11NO — CID 19883347

IUPAC4-methylpyrrolidin-3-ol
SMILESCC1CNCC1O
InChIInChI=1S/C5H11NO/c1-4-2-6-3-5(4)7/h4-7H,2-3H2,1H3
InChIKeyPTYCBNUHKXMSSA-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.41
Rot. Bonds

About 4-methylpyrrolidin-3-ol

4-methylpyrrolidin-3-ol (PubChem CID 19883347) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-methylpyrrolidin-3-ol
PubChem CID19883347
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name4-methylpyrrolidin-3-ol
SMILESCC1CNCC1O
InChIInChI=1S/C5H11NO/c1-4-2-6-3-5(4)7/h4-7H,2-3H2,1H3
InChIKeyPTYCBNUHKXMSSA-UHFFFAOYSA-N
XLogP-0.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrrolidin-3-ol?
The IUPAC name of 4-methylpyrrolidin-3-ol (CID 19883347) is 4-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-methylpyrrolidin-3-ol?
The canonical SMILES for 4-methylpyrrolidin-3-ol is CC1CNCC1O.
What is the InChIKey of 4-methylpyrrolidin-3-ol?
The InChIKey is PTYCBNUHKXMSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4-2-6-3-5(4)7/h4-7H,2-3H2,1H3.
What are the key properties of 4-methylpyrrolidin-3-ol?
4-methylpyrrolidin-3-ol has a molecular weight of 101.15 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrolidin-3-ol is sourced from PubChem (CID 19883347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).