5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one

C9H12N2O2 — CID 143469092

IUPAC5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one
SMILESC=Nc1c(C/C=C\C)oc(=O)n1C
InChIInChI=1S/C9H12N2O2/c1-4-5-6-7-8(10-2)11(3)9(12)13-7/h4-5H,2,6H2,1,3H3/b5-4-
InChIKeyCVTCUZXSKOKORC-PLNGDYQASA-N
MW180.21 g/mol
LogP1.43
Rot. Bonds3

About 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one

5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one (PubChem CID 143469092) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one
PubChem CID143469092
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one
SMILESC=Nc1c(C/C=C\C)oc(=O)n1C
InChIInChI=1S/C9H12N2O2/c1-4-5-6-7-8(10-2)11(3)9(12)13-7/h4-5H,2,6H2,1,3H3/b5-4-
InChIKeyCVTCUZXSKOKORC-PLNGDYQASA-N
XLogP1.43
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-1,3-oxazine-2,4-dione
CID 143617825
4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one
CID 143469083
1,3-bis(but-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 54557283
1-but-2-enyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 174837120
1-but-2-enylpyrrolidine-2,5-dione
CID 70609957
3-but-2-enyl-1,2,4,5-tetramethylbenzene
CID 173045793
1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione
CID 10560261
3-bromo-4,5-bis(prop-2-enyl)-1,3-oxazol-2-one
CID 88800322
2-[(E)-but-2-enyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 164897999
3-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)propanal
CID 175423709
6-(diazenylmethyl)-3-methyl-1,3-benzoxazol-2-one
CID 89345926
3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one
CID 143676783

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one?
The IUPAC name of 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one (CID 143469092) is 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one.
What is the SMILES notation for 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one?
The canonical SMILES for 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one is C=Nc1c(C/C=C\C)oc(=O)n1C.
What is the InChIKey of 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one?
The InChIKey is CVTCUZXSKOKORC-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-5-6-7-8(10-2)11(3)9(12)13-7/h4-5H,2,6H2,1,3H3/b5-4-.
What are the key properties of 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one?
5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one has a molecular weight of 180.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one is sourced from PubChem (CID 143469092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).