methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate

C9H14N4O2 — CID 135270012

IUPACmethyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate
SMILESC=N/C(C(=O)OC)=C(/N)N/N=C\C=C/C
InChIInChI=1S/C9H14N4O2/c1-4-5-6-12-13-8(10)7(11-2)9(14)15-3/h4-6,13H,2,10H2,1,3H3/b5-4-,8-7-,12-6-
InChIKeyOQIIZQFEEKLUPM-HLDVSMTBSA-N
MW210.24 g/mol
LogP0.14
Rot. Bonds5

About methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate

methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate (PubChem CID 135270012) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate
PubChem CID135270012
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate
SMILESC=N/C(C(=O)OC)=C(/N)N/N=C\C=C/C
InChIInChI=1S/C9H14N4O2/c1-4-5-6-12-13-8(10)7(11-2)9(14)15-3/h4-6,13H,2,10H2,1,3H3/b5-4-,8-7-,12-6-
InChIKeyOQIIZQFEEKLUPM-HLDVSMTBSA-N
XLogP0.14
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate?
The IUPAC name of methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate (CID 135270012) is methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate is C=N/C(C(=O)OC)=C(/N)N/N=C\C=C/C.
What is the InChIKey of methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate?
The InChIKey is OQIIZQFEEKLUPM-HLDVSMTBSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-4-5-6-12-13-8(10)7(11-2)9(14)15-3/h4-6,13H,2,10H2,1,3H3/b5-4-,8-7-,12-6-.
What are the key properties of methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate?
methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate has a molecular weight of 210.24 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-amino-3-[(2Z)-2-[(Z)-but-2-enylidene]hydrazinyl]-2-(methylideneamino)prop-2-enoate is sourced from PubChem (CID 135270012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).