(3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one

C10H15NO2 — CID 11550100

IUPAC(3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@@H](OC)[C@H]1C(=C)C
InChIInChI=1S/C10H15NO2/c1-5-6-11-8(7(2)3)9(13-4)10(11)12/h5,8-9H,1-2,6H2,3-4H3/t8-,9+/m1/s1
InChIKeyGIIKTPSFLUXETC-BDAKNGLRSA-N
MW181.23 g/mol
LogP0.97
Rot. Bonds4

About (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one

(3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one (PubChem CID 11550100) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one
PubChem CID11550100
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@@H](OC)[C@H]1C(=C)C
InChIInChI=1S/C10H15NO2/c1-5-6-11-8(7(2)3)9(13-4)10(11)12/h5,8-9H,1-2,6H2,3-4H3/t8-,9+/m1/s1
InChIKeyGIIKTPSFLUXETC-BDAKNGLRSA-N
XLogP0.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-methoxy-1-propan-2-yl-4-prop-1-en-2-ylazetidin-2-one
CID 11636933
(3S,4R)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 11252593
(3S,4R)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 11658629
(3S,4R)-4-tert-butyl-3-methoxy-1-prop-2-enylazetidin-2-one
CID 24805502
(3R,4S)-3-methoxy-1-propan-2-yl-4-prop-1-en-2-ylazetidin-2-one
CID 101376903
(3R,4S)-1-cyclohexyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 101376905
(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 101376908
3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone
CID 130611473

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one (CID 11550100) is (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)[C@@H](OC)[C@H]1C(=C)C.
What is the InChIKey of (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one?
The InChIKey is GIIKTPSFLUXETC-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-6-11-8(7(2)3)9(13-4)10(11)12/h5,8-9H,1-2,6H2,3-4H3/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one?
(3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 11550100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).