acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)

C9H16NORb — CID 58582874

IUPACacetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)
SMILESCC(=O)[N-]C(C)C(C)=C(C)C.[Rb+]
InChIInChI=1S/C9H17NO.Rb/c1-6(2)7(3)8(4)10-9(5)11;/h8H,1-5H3,(H,10,11);/q;+1/p-1
InChIKeyMDVORWFJCSGHLO-UHFFFAOYSA-M
MW239.70 g/mol
LogP-0.34
Rot. Bonds2

About acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)

acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+) (PubChem CID 58582874) has the molecular formula C9H16NORb and a molecular weight of 239.70 g/mol. Its IUPAC name is acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+).

Molecular Properties

Compound Nameacetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)
PubChem CID58582874
Molecular FormulaC9H16NORb
Molecular Weight239.70 g/mol
Exact Mass239.03
IUPAC Nameacetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)
SMILESCC(=O)[N-]C(C)C(C)=C(C)C.[Rb+]
InChIInChI=1S/C9H17NO.Rb/c1-6(2)7(3)8(4)10-9(5)11;/h8H,1-5H3,(H,10,11);/q;+1/p-1
InChIKeyMDVORWFJCSGHLO-UHFFFAOYSA-M
XLogP-0.34
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)?
The IUPAC name of acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+) (CID 58582874) is acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+).
What is the SMILES notation for acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)?
The canonical SMILES for acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+) is CC(=O)[N-]C(C)C(C)=C(C)C.[Rb+].
What is the InChIKey of acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)?
The InChIKey is MDVORWFJCSGHLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO.Rb/c1-6(2)7(3)8(4)10-9(5)11;/h8H,1-5H3,(H,10,11);/q;+1/p-1.
What are the key properties of acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+)?
acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+) has a molecular weight of 239.70 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(3,4-dimethylpent-3-en-2-yl)azanide;rubidium(1+) is sourced from PubChem (CID 58582874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).