(3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one

C14H17NO2 — CID 11148947

IUPAC(3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@@H]1[C@H](OC)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(2)12-13(17-3)14(16)15(12)9-11-7-5-4-6-8-11/h4-8,12-13H,1,9H2,2-3H3/t12-,13+/m1/s1
InChIKeyBAEZEDJUSNVVBU-OLZOCXBDSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds4

About (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one

(3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one (PubChem CID 11148947) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
PubChem CID11148947
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@@H]1[C@H](OC)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(2)12-13(17-3)14(16)15(12)9-11-7-5-4-6-8-11/h4-8,12-13H,1,9H2,2-3H3/t12-,13+/m1/s1
InChIKeyBAEZEDJUSNVVBU-OLZOCXBDSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one (CID 11148947) is (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one is C=C(C)[C@@H]1[C@H](OC)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
The InChIKey is BAEZEDJUSNVVBU-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)12-13(17-3)14(16)15(12)9-11-7-5-4-6-8-11/h4-8,12-13H,1,9H2,2-3H3/t12-,13+/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one?
(3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one is sourced from PubChem (CID 11148947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).