3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one

C11H17NO2 — CID 130992567

IUPAC3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one
SMILESO=C1NC(C2CCOCC2)C1C1CC1
InChIInChI=1S/C11H17NO2/c13-11-9(7-1-2-7)10(12-11)8-3-5-14-6-4-8/h7-10H,1-6H2,(H,12,13)
InChIKeyDZGUZWZVDSRHRO-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.94
Rot. Bonds2

About 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one

3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one (PubChem CID 130992567) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one
PubChem CID130992567
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one
SMILESO=C1NC(C2CCOCC2)C1C1CC1
InChIInChI=1S/C11H17NO2/c13-11-9(7-1-2-7)10(12-11)8-3-5-14-6-4-8/h7-10H,1-6H2,(H,12,13)
InChIKeyDZGUZWZVDSRHRO-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-4-(oxolan-2-yl)azetidin-2-one
CID 131007607
3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one
CID 130855783
3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64885637
5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one
CID 79967925
(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione
CID 129499724
3-azatricyclo[4.2.2.02,5]deca-7,9-dien-4-one
CID 55286164
(3aR,4R,7R,7aR)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 124524581
4-(oxan-4-yl)piperidine-1-carbaldehyde
CID 143294337
(1R,2R,5S,6S)-3-azatricyclo[4.2.1.02,5]non-7-en-4-one;(1R,6S)-3-azatricyclo[4.2.1.02,5]non-7-en-4-one
CID 161392599
3-cyclopropyl-4-(5-methyl-1,3-thiazol-2-yl)azetidin-2-one
CID 130949295
(3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione
CID 129499384
(1R,2S,6R,7S)-4-oxatricyclo[5.3.2.02,6]dodecane-3,5-dione
CID 87492074

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one?
The IUPAC name of 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one (CID 130992567) is 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one.
What is the SMILES notation for 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one?
The canonical SMILES for 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one is O=C1NC(C2CCOCC2)C1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one?
The InChIKey is DZGUZWZVDSRHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11-9(7-1-2-7)10(12-11)8-3-5-14-6-4-8/h7-10H,1-6H2,(H,12,13).
What are the key properties of 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one?
3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one has a molecular weight of 195.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(oxan-4-yl)azetidin-2-one is sourced from PubChem (CID 130992567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).