5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one

C15H17NO2 — CID 46210942

IUPAC5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
SMILESC=C1N(c2ccccc2)C(=O)OC1(C)C/C=C\C
InChIInChI=1S/C15H17NO2/c1-4-5-11-15(3)12(2)16(14(17)18-15)13-9-7-6-8-10-13/h4-10H,2,11H2,1,3H3/b5-4-
InChIKeyPAYBSQHUUXNJTE-PLNGDYQASA-N
MW243.31 g/mol
LogP3.88
Rot. Bonds3

About 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one

5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 46210942) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
PubChem CID46210942
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
SMILESC=C1N(c2ccccc2)C(=O)OC1(C)C/C=C\C
InChIInChI=1S/C15H17NO2/c1-4-5-11-15(3)12(2)16(14(17)18-15)13-9-7-6-8-10-13/h4-10H,2,11H2,1,3H3/b5-4-
InChIKeyPAYBSQHUUXNJTE-PLNGDYQASA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.88
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

5-methyl-4-methylidene-3-phenyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 46210936
(5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
CID 46211093
5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67259479
(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
CID 155926943
4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077245
(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
CID 139049260
5-ethenyl-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 168864617
ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
CID 20530498
5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045960
3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
CID 15497951
5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
CID 102474036
5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 102476767

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one (CID 46210942) is 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one is C=C1N(c2ccccc2)C(=O)OC1(C)C/C=C\C.
What is the InChIKey of 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PAYBSQHUUXNJTE-PLNGDYQASA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-5-11-15(3)12(2)16(14(17)18-15)13-9-7-6-8-10-13/h4-10H,2,11H2,1,3H3/b5-4-.
What are the key properties of 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46210942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).