N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)

C12H22NO2Ru — CID 59025330

IUPACN-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)
SMILES[CH2-]C(=O)NC1C(C)C(C)OC1C(C)CC.[Ru+]
InChIInChI=1S/C12H22NO2.Ru/c1-6-7(2)12-11(13-10(5)14)8(3)9(4)15-12;/h7-9,11-12H,5-6H2,1-4H3,(H,13,14);/q-1;+1
InChIKeyLBAFAQRQQPDZLZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.77
Rot. Bonds3

About N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)

N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+) (PubChem CID 59025330) has the molecular formula C12H22NO2Ru and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+).

Molecular Properties

Compound NameN-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)
PubChem CID59025330
Molecular FormulaC12H22NO2Ru
Molecular Weight313.38 g/mol
Exact Mass314.07
IUPAC NameN-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)
SMILES[CH2-]C(=O)NC1C(C)C(C)OC1C(C)CC.[Ru+]
InChIInChI=1S/C12H22NO2.Ru/c1-6-7(2)12-11(13-10(5)14)8(3)9(4)15-12;/h7-9,11-12H,5-6H2,1-4H3,(H,13,14);/q-1;+1
InChIKeyLBAFAQRQQPDZLZ-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylcyclohexyl)oxy-N-[4-(oxolan-2-yl)butan-2-yl]acetamide
CID 56789060
N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide
CID 176612777
N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
CID 176612931
N-(2,4,5-trimethyloxolan-3-yl)butanamide
CID 22896095
CID 57724906
CID 57724906
N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide
CID 59967442
N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide
CID 118259978
CID 153493653
CID 153493653
N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen
CID 169251140
N-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)acetamide
CID 173540851
N-[(3R,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]acetamide
CID 173540852
N-[(3S,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]acetamide
CID 173540967

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)?
The IUPAC name of N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+) (CID 59025330) is N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+).
What is the SMILES notation for N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)?
The canonical SMILES for N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+) is [CH2-]C(=O)NC1C(C)C(C)OC1C(C)CC.[Ru+].
What is the InChIKey of N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)?
The InChIKey is LBAFAQRQQPDZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO2.Ru/c1-6-7(2)12-11(13-10(5)14)8(3)9(4)15-12;/h7-9,11-12H,5-6H2,1-4H3,(H,13,14);/q-1;+1.
What are the key properties of N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+)?
N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+) has a molecular weight of 313.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide;ruthenium(1+) is sourced from PubChem (CID 59025330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).