ethane;3-methyl-1-(oxetan-3-yl)azetidine

C9H19NO — CID 144739984

IUPACethane;3-methyl-1-(oxetan-3-yl)azetidine
SMILESCC.CC1CN(C2COC2)C1
InChIInChI=1S/C7H13NO.C2H6/c1-6-2-8(3-6)7-4-9-5-7;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyYTJBSMVLDKYNNR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds1

About ethane;3-methyl-1-(oxetan-3-yl)azetidine

ethane;3-methyl-1-(oxetan-3-yl)azetidine (PubChem CID 144739984) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;3-methyl-1-(oxetan-3-yl)azetidine.

Molecular Properties

Compound Nameethane;3-methyl-1-(oxetan-3-yl)azetidine
PubChem CID144739984
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;3-methyl-1-(oxetan-3-yl)azetidine
SMILESCC.CC1CN(C2COC2)C1
InChIInChI=1S/C7H13NO.C2H6/c1-6-2-8(3-6)7-4-9-5-7;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyYTJBSMVLDKYNNR-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(oxetan-3-yl)azetidine?
The IUPAC name of ethane;3-methyl-1-(oxetan-3-yl)azetidine (CID 144739984) is ethane;3-methyl-1-(oxetan-3-yl)azetidine.
What is the SMILES notation for ethane;3-methyl-1-(oxetan-3-yl)azetidine?
The canonical SMILES for ethane;3-methyl-1-(oxetan-3-yl)azetidine is CC.CC1CN(C2COC2)C1.
What is the InChIKey of ethane;3-methyl-1-(oxetan-3-yl)azetidine?
The InChIKey is YTJBSMVLDKYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-6-2-8(3-6)7-4-9-5-7;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(oxetan-3-yl)azetidine?
ethane;3-methyl-1-(oxetan-3-yl)azetidine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(oxetan-3-yl)azetidine is sourced from PubChem (CID 144739984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).