3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine

C10H19NO — CID 138580414

IUPAC3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine
SMILESC[C@H]1CCOC(CC2CNC2)C1
InChIInChI=1S/C10H19NO/c1-8-2-3-12-10(4-8)5-9-6-11-7-9/h8-11H,2-7H2,1H3/t8-,10?/m0/s1
InChIKeyPPNALPJOPANYEZ-PEHGTWAWSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds2

About 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine

3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine (PubChem CID 138580414) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine.

Molecular Properties

Compound Name3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine
PubChem CID138580414
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine
SMILESC[C@H]1CCOC(CC2CNC2)C1
InChIInChI=1S/C10H19NO/c1-8-2-3-12-10(4-8)5-9-6-11-7-9/h8-11H,2-7H2,1H3/t8-,10?/m0/s1
InChIKeyPPNALPJOPANYEZ-PEHGTWAWSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine?
The IUPAC name of 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine (CID 138580414) is 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine.
What is the SMILES notation for 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine?
The canonical SMILES for 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine is C[C@H]1CCOC(CC2CNC2)C1.
What is the InChIKey of 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine?
The InChIKey is PPNALPJOPANYEZ-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-2-3-12-10(4-8)5-9-6-11-7-9/h8-11H,2-7H2,1H3/t8-,10?/m0/s1.
What are the key properties of 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine?
3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-4-methyloxan-2-yl]methyl]azetidine is sourced from PubChem (CID 138580414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).