1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate

C13H18N2O — CID 89230428

IUPAC1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate
SMILESC=C(O/C(C)=N\N)c1cccc(C(C)C)c1
InChIInChI=1S/C13H18N2O/c1-9(2)12-6-5-7-13(8-12)10(3)16-11(4)15-14/h5-9H,3,14H2,1-2,4H3/b15-11-
InChIKeyBNSSSTIKLRBJLS-PTNGSMBKSA-N
MW218.30 g/mol
LogP3.09
Rot. Bonds3

About 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate

1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate (PubChem CID 89230428) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate
PubChem CID89230428
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate
SMILESC=C(O/C(C)=N\N)c1cccc(C(C)C)c1
InChIInChI=1S/C13H18N2O/c1-9(2)12-6-5-7-13(8-12)10(3)16-11(4)15-14/h5-9H,3,14H2,1-2,4H3/b15-11-
InChIKeyBNSSSTIKLRBJLS-PTNGSMBKSA-N
XLogP3.09
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-diamino-3-propan-2-ylbenzenecarboximidamide
CID 170970616
N-methyl-1-(3-propan-2-ylphenyl)ethanimine
CID 59110491
1-propan-2-yl-2-prop-1-en-2-ylbenzene;1-propan-2-yl-3-prop-1-en-2-ylbenzene
CID 173398854
2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
CID 66768595
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
(1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine
CID 167218965
ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate
CID 68528619
1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423
CID 23527697
CID 23527697
(4-ethenylbenzoyl) 3-propan-2-ylbenzoate
CID 163394036
2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene
CID 143844971
(Z)-2-hydrazinyl-2-(3-propan-2-ylphenyl)ethenamine
CID 170970755

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate?
The IUPAC name of 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate (CID 89230428) is 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate?
The canonical SMILES for 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate is C=C(O/C(C)=N\N)c1cccc(C(C)C)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate?
The InChIKey is BNSSSTIKLRBJLS-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)12-6-5-7-13(8-12)10(3)16-11(4)15-14/h5-9H,3,14H2,1-2,4H3/b15-11-.
What are the key properties of 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate?
1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate has a molecular weight of 218.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate is sourced from PubChem (CID 89230428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).