4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one

C12H17NO3 — CID 18333989

IUPAC4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one
SMILESC#CCC1C(=O)N(OC2CCCCO2)C1C
InChIInChI=1S/C12H17NO3/c1-3-6-10-9(2)13(12(10)14)16-11-7-4-5-8-15-11/h1,9-11H,4-8H2,2H3
InChIKeyVUZPRWBMTRQSAK-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.31
Rot. Bonds3

About 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one

4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one (PubChem CID 18333989) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one
PubChem CID18333989
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one
SMILESC#CCC1C(=O)N(OC2CCCCO2)C1C
InChIInChI=1S/C12H17NO3/c1-3-6-10-9(2)13(12(10)14)16-11-7-4-5-8-15-11/h1,9-11H,4-8H2,2H3
InChIKeyVUZPRWBMTRQSAK-UHFFFAOYSA-N
XLogP1.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-methyl-1-(oxan-2-yloxy)-3-[(4-phenylcyclohexyl)methyl]azetidin-2-one
CID 56987650
(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one
CID 57026434
4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one
CID 21268070
4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one
CID 21268063
(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 57199576
3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one
CID 54244937
(3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 11098054
(3R,4S)-4-benzyl-3-(3-methylbutyl)-1-(oxan-2-yloxy)azetidin-2-one
CID 10936465
1,3-bis(oxan-2-yloxy)-1,3-diazepane-2,4,7-trione
CID 10783459
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
CID 121451856

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one?
The IUPAC name of 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one (CID 18333989) is 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one.
What is the SMILES notation for 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one?
The canonical SMILES for 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one is C#CCC1C(=O)N(OC2CCCCO2)C1C.
What is the InChIKey of 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one?
The InChIKey is VUZPRWBMTRQSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-6-10-9(2)13(12(10)14)16-11-7-4-5-8-15-11/h1,9-11H,4-8H2,2H3.
What are the key properties of 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one?
4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one has a molecular weight of 223.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one is sourced from PubChem (CID 18333989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).