[(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))

C5H8NORb2+ — CID 156642113

IUPAC[(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))
SMILESCC(=O)/C=C/C[NH-].[Rb+].[Rb+]
InChIInChI=1S/C5H8NO.2Rb/c1-5(7)3-2-4-6;;/h2-3,6H,4H2,1H3;;/q-1;2*+1/b3-2+;;
InChIKeyXUIRQNYDZWZYCQ-WTVBWJGASA-N
MW269.06 g/mol
LogP-4.81
Rot. Bonds2

About [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))

[(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+)) (PubChem CID 156642113) has the molecular formula C5H8NORb2+ and a molecular weight of 269.06 g/mol. Its IUPAC name is [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+)).

Molecular Properties

Compound Name[(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))
PubChem CID156642113
Molecular FormulaC5H8NORb2+
Molecular Weight269.06 g/mol
Exact Mass267.88
IUPAC Name[(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))
SMILESCC(=O)/C=C/C[NH-].[Rb+].[Rb+]
InChIInChI=1S/C5H8NO.2Rb/c1-5(7)3-2-4-6;;/h2-3,6H,4H2,1H3;;/q-1;2*+1/b3-2+;;
InChIKeyXUIRQNYDZWZYCQ-WTVBWJGASA-N
XLogP-4.81
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 5-4.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-6-methylhept-3-en-2-one
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(Z)-5-oxohex-3-enoic acid
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(3E,11E)-tetradeca-3,11-diene-2,13-dione
CID 24974321
6,6-dihydroxyhex-3-en-2-one
CID 91384953
hexane;hex-3-en-2-one
CID 159035878
methane;oct-3-en-2-one
CID 175702789
deca-3,6,9-trien-2-one
CID 139932510
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
(E)-5-prop-2-enoxypent-3-en-2-one
CID 45085584
gold;non-3-en-2-one
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6,8-dimethylnon-3-en-2-one
CID 54414003

Frequently Asked Questions

What is the IUPAC name of [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))?
The IUPAC name of [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+)) (CID 156642113) is [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+)).
What is the SMILES notation for [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))?
The canonical SMILES for [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+)) is CC(=O)/C=C/C[NH-].[Rb+].[Rb+].
What is the InChIKey of [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))?
The InChIKey is XUIRQNYDZWZYCQ-WTVBWJGASA-N. The full InChI is InChI=1S/C5H8NO.2Rb/c1-5(7)3-2-4-6;;/h2-3,6H,4H2,1H3;;/q-1;2*+1/b3-2+;;.
What are the key properties of [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+))?
[(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+)) has a molecular weight of 269.06 g/mol, XLogP of -4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-oxopent-2-enyl]azanide;bis(rubidium(1+)) is sourced from PubChem (CID 156642113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).