but-2-enedioic acid;propan-2-ylhydrazine

C7H14N2O4 — CID 159437299

IUPACbut-2-enedioic acid;propan-2-ylhydrazine
SMILESCC(C)NN.O=C(O)C=CC(=O)O
InChIInChI=1S/C4H4O4.C3H10N2/c5-3(6)1-2-4(7)8;1-3(2)5-4/h1-2H,(H,5,6)(H,7,8);3,5H,4H2,1-2H3
InChIKeyLRSUUZWXQQDUEI-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.43
Rot. Bonds3

About but-2-enedioic acid;propan-2-ylhydrazine

but-2-enedioic acid;propan-2-ylhydrazine (PubChem CID 159437299) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is but-2-enedioic acid;propan-2-ylhydrazine.

Molecular Properties

Compound Namebut-2-enedioic acid;propan-2-ylhydrazine
PubChem CID159437299
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namebut-2-enedioic acid;propan-2-ylhydrazine
SMILESCC(C)NN.O=C(O)C=CC(=O)O
InChIInChI=1S/C4H4O4.C3H10N2/c5-3(6)1-2-4(7)8;1-3(2)5-4/h1-2H,(H,5,6)(H,7,8);3,5H,4H2,1-2H3
InChIKeyLRSUUZWXQQDUEI-UHFFFAOYSA-N
XLogP-0.43
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
(E)-4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobut-2-enoic acid
CID 43545477
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;propan-2-ylhydrazine?
The IUPAC name of but-2-enedioic acid;propan-2-ylhydrazine (CID 159437299) is but-2-enedioic acid;propan-2-ylhydrazine.
What is the SMILES notation for but-2-enedioic acid;propan-2-ylhydrazine?
The canonical SMILES for but-2-enedioic acid;propan-2-ylhydrazine is CC(C)NN.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;propan-2-ylhydrazine?
The InChIKey is LRSUUZWXQQDUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4.C3H10N2/c5-3(6)1-2-4(7)8;1-3(2)5-4/h1-2H,(H,5,6)(H,7,8);3,5H,4H2,1-2H3.
What are the key properties of but-2-enedioic acid;propan-2-ylhydrazine?
but-2-enedioic acid;propan-2-ylhydrazine has a molecular weight of 190.20 g/mol, XLogP of -0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;propan-2-ylhydrazine is sourced from PubChem (CID 159437299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).