(5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine

C9H12N2O — CID 145374732

IUPAC(5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine
SMILESC/C=C\N=C1/C(C)=NO/C1=C/C
InChIInChI=1S/C9H12N2O/c1-4-6-10-9-7(3)11-12-8(9)5-2/h4-6H,1-3H3/b6-4-,8-5+,10-9+
InChIKeyRBCDHPGXWYPOCK-BGPGRFNSSA-N
MW164.21 g/mol
LogP2.27
Rot. Bonds1

About (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine

(5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine (PubChem CID 145374732) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine.

Molecular Properties

Compound Name(5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine
PubChem CID145374732
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine
SMILESC/C=C\N=C1/C(C)=NO/C1=C/C
InChIInChI=1S/C9H12N2O/c1-4-6-10-9-7(3)11-12-8(9)5-2/h4-6H,1-3H3/b6-4-,8-5+,10-9+
InChIKeyRBCDHPGXWYPOCK-BGPGRFNSSA-N
XLogP2.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine
CID 143379896
acetaldehyde;(4Z)-4-ethylidene-2-methyl-N-[(Z)-prop-1-enyl]pyrazol-3-imine
CID 144894466
3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 142851442
(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
CID 142874762
4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine
CID 118361880
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
(4Z)-4-ethylidenedioxetan-3-one
CID 142713844
(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine
CID 143716494
3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
CID 144801133
(3E,4E)-3,4-di(ethylidene)-1H-2-benzoxepin-5-one
CID 130316300
(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane
CID 143483101
(5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine
CID 170405322

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine?
The IUPAC name of (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine (CID 145374732) is (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine.
What is the SMILES notation for (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine?
The canonical SMILES for (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine is C/C=C\N=C1/C(C)=NO/C1=C/C.
What is the InChIKey of (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine?
The InChIKey is RBCDHPGXWYPOCK-BGPGRFNSSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-6-10-9-7(3)11-12-8(9)5-2/h4-6H,1-3H3/b6-4-,8-5+,10-9+.
What are the key properties of (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine?
(5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine has a molecular weight of 164.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine is sourced from PubChem (CID 145374732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).