potassium (Z)-3-cyanoprop-2-enoate

C4H2KNO2 — CID 140761253

IUPACpotassium (Z)-3-cyanoprop-2-enoate
SMILESN#C/C=C\C(=O)[O-].[K+]
InChIInChI=1S/C4H3NO2.K/c5-3-1-2-4(6)7;/h1-2H,(H,6,7);/q;+1/p-1/b2-1-;
InChIKeyQFDZGTSKVCJBIB-ODZAUARKSA-M
MW135.16 g/mol
LogP-4.18
Rot. Bonds1

About potassium (Z)-3-cyanoprop-2-enoate

potassium (Z)-3-cyanoprop-2-enoate (PubChem CID 140761253) has the molecular formula C4H2KNO2 and a molecular weight of 135.16 g/mol. Its IUPAC name is potassium (Z)-3-cyanoprop-2-enoate.

Molecular Properties

Compound Namepotassium (Z)-3-cyanoprop-2-enoate
PubChem CID140761253
Molecular FormulaC4H2KNO2
Molecular Weight135.16 g/mol
Exact Mass134.97
IUPAC Namepotassium (Z)-3-cyanoprop-2-enoate
SMILESN#C/C=C\C(=O)[O-].[K+]
InChIInChI=1S/C4H3NO2.K/c5-3-1-2-4(6)7;/h1-2H,(H,6,7);/q;+1/p-1/b2-1-;
InChIKeyQFDZGTSKVCJBIB-ODZAUARKSA-M
XLogP-4.18
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-4.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-cyanoprop-2-enoyl iodide
CID 122607560
calcium;but-2-enedioate;trihydrate
CID 74057853
disodium;(Z)-but-2-enedioate;dihydrate
CID 90473230
(E)-but-2-enedioate
CID 5460307
(Z)-3-cyano-N-ethylprop-2-enamide
CID 166882197
dicalcium bis((Z)-but-2-enedioate)
CID 160931000
but-2-enedioate;manganese(2+)
CID 57354505
disodium;(Z)-but-2-enedioate
CID 6364608
bis((Z)-but-2-enedioate);copper
CID 172736667
disodium;(2,3-13C2)but-2-enedioate
CID 118797082
tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
tris((Z)-but-2-enedioate);neodymium
CID 139595444

Frequently Asked Questions

What is the IUPAC name of potassium (Z)-3-cyanoprop-2-enoate?
The IUPAC name of potassium (Z)-3-cyanoprop-2-enoate (CID 140761253) is potassium (Z)-3-cyanoprop-2-enoate.
What is the SMILES notation for potassium (Z)-3-cyanoprop-2-enoate?
The canonical SMILES for potassium (Z)-3-cyanoprop-2-enoate is N#C/C=C\C(=O)[O-].[K+].
What is the InChIKey of potassium (Z)-3-cyanoprop-2-enoate?
The InChIKey is QFDZGTSKVCJBIB-ODZAUARKSA-M. The full InChI is InChI=1S/C4H3NO2.K/c5-3-1-2-4(6)7;/h1-2H,(H,6,7);/q;+1/p-1/b2-1-;.
What are the key properties of potassium (Z)-3-cyanoprop-2-enoate?
potassium (Z)-3-cyanoprop-2-enoate has a molecular weight of 135.16 g/mol, XLogP of -4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-3-cyanoprop-2-enoate is sourced from PubChem (CID 140761253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).