[(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide

C5H9N2O2- — CID 163729429

IUPAC[(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide
SMILESC=C(C(=O)OC)N(C)[NH-]
InChIInChI=1S/C5H9N2O2/c1-4(7(2)6)5(8)9-3/h6H,1H2,2-3H3/q-1
InChIKeyJIKBHIUZRSZNEC-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.57
Rot. Bonds2

About [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide

[(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide (PubChem CID 163729429) has the molecular formula C5H9N2O2- and a molecular weight of 129.14 g/mol. Its IUPAC name is [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide.

Molecular Properties

Compound Name[(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide
PubChem CID163729429
Molecular FormulaC5H9N2O2-
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name[(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide
SMILESC=C(C(=O)OC)N(C)[NH-]
InChIInChI=1S/C5H9N2O2/c1-4(7(2)6)5(8)9-3/h6H,1H2,2-3H3/q-1
InChIKeyJIKBHIUZRSZNEC-UHFFFAOYSA-N
XLogP0.57
TPSA53.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(diethylamino)prop-2-enoate
CID 14744312
dimethyl oxalate
CID 11120
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
3-methoxy-3-oxo(313C)prop-1-en-2-olate
CID 102061344
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
dimethyl oxalate;hydrochloride
CID 172754902
ethane;methyl 2-oxopropanoate
CID 142946473
CID 87704486
CID 87704486

Frequently Asked Questions

What is the IUPAC name of [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide?
The IUPAC name of [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide (CID 163729429) is [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide.
What is the SMILES notation for [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide?
The canonical SMILES for [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide is C=C(C(=O)OC)N(C)[NH-].
What is the InChIKey of [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide?
The InChIKey is JIKBHIUZRSZNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O2/c1-4(7(2)6)5(8)9-3/h6H,1H2,2-3H3/q-1.
What are the key properties of [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide?
[(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide has a molecular weight of 129.14 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide is sourced from PubChem (CID 163729429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).