1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide

C16H20N4O2 — CID 144838869

IUPAC1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESC=Cc1cccc(N(C)N)c1/C=C/c1ccco1.NNC=O
InChIInChI=1S/C15H16N2O.CH4N2O/c1-3-12-6-4-8-15(17(2)16)14(12)10-9-13-7-5-11-18-13;2-3-1-4/h3-11H,1,16H2,2H3;1H,2H2,(H,3,4)/b10-9+;
InChIKeyKDIIZIZJBSRSCB-RRABGKBLSA-N
MW300.36 g/mol
LogP2.01
Rot. Bonds5

About 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide

1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144838869) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144838869
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESC=Cc1cccc(N(C)N)c1/C=C/c1ccco1.NNC=O
InChIInChI=1S/C15H16N2O.CH4N2O/c1-3-12-6-4-8-15(17(2)16)14(12)10-9-13-7-5-11-18-13;2-3-1-4/h3-11H,1,16H2,2H3;1H,2H2,(H,3,4)/b10-9+;
InChIKeyKDIIZIZJBSRSCB-RRABGKBLSA-N
XLogP2.01
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 144838244
1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144837932
2-[(Z)-2-(2-ethenylphenyl)ethenyl]furan
CID 14547807
1-[3-cyclopropyl-5-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine
CID 144838636
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
formohydrazide;2-methylfuran
CID 174441512
1-[3-bromo-2-[(E)-2-(4-methylfuran-2-yl)ethenyl]phenyl]-1-methylhydrazine
CID 144838433
azane;furan-2-carbaldehyde
CID 19372392
3-[amino(methyl)amino]-2-hydroxybenzaldehyde
CID 143076774
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
2-[(Z)-2-naphthalen-1-ylethenyl]furan
CID 12649067
2-[(E)-2-fluoroethenyl]furan
CID 145208016

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144838869) is 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide is C=Cc1cccc(N(C)N)c1/C=C/c1ccco1.NNC=O.
What is the InChIKey of 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is KDIIZIZJBSRSCB-RRABGKBLSA-N. The full InChI is InChI=1S/C15H16N2O.CH4N2O/c1-3-12-6-4-8-15(17(2)16)14(12)10-9-13-7-5-11-18-13;2-3-1-4/h3-11H,1,16H2,2H3;1H,2H2,(H,3,4)/b10-9+;.
What are the key properties of 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 300.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144838869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).