3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol

C9H18N2O — CID 126983391

IUPAC3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol
SMILESCC1CN(CC2(O)CCNC2)C1
InChIInChI=1S/C9H18N2O/c1-8-4-11(5-8)7-9(12)2-3-10-6-9/h8,10,12H,2-7H2,1H3
InChIKeyYRCZTEJHPLTRQS-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.34
Rot. Bonds2

About 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol

3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 126983391) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol
PubChem CID126983391
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol
SMILESCC1CN(CC2(O)CCNC2)C1
InChIInChI=1S/C9H18N2O/c1-8-4-11(5-8)7-9(12)2-3-10-6-9/h8,10,12H,2-7H2,1H3
InChIKeyYRCZTEJHPLTRQS-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol (CID 126983391) is 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol is CC1CN(CC2(O)CCNC2)C1.
What is the InChIKey of 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is YRCZTEJHPLTRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-4-11(5-8)7-9(12)2-3-10-6-9/h8,10,12H,2-7H2,1H3.
What are the key properties of 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol?
3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 126983391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).