ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane

C19H40N2O4 — CID 143100876

IUPACethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane
SMILESCC.CC(C)C.CCC.COC.N#COCC(=O)N1CCCC1C=O
InChIInChI=1S/C8H10N2O3.C4H10.C3H8.C2H6O.C2H6/c9-6-13-5-8(12)10-3-1-2-7(10)4-11;1-4(2)3;2*1-3-2;1-2/h4,7H,1-3,5H2;4H,1-3H3;3H2,1-2H3;1-2H3;1-2H3
InChIKeyWVSIDBOWTBOFJC-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.04
Rot. Bonds3

About ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane

ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane (PubChem CID 143100876) has the molecular formula C19H40N2O4 and a molecular weight of 360.54 g/mol. Its IUPAC name is ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane.

Molecular Properties

Compound Nameethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane
PubChem CID143100876
Molecular FormulaC19H40N2O4
Molecular Weight360.54 g/mol
Exact Mass360.30
IUPAC Nameethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane
SMILESCC.CC(C)C.CCC.COC.N#COCC(=O)N1CCCC1C=O
InChIInChI=1S/C8H10N2O3.C4H10.C3H8.C2H6O.C2H6/c9-6-13-5-8(12)10-3-1-2-7(10)4-11;1-4(2)3;2*1-3-2;1-2/h4,7H,1-3,5H2;4H,1-3H3;3H2,1-2H3;1-2H3;1-2H3
InChIKeyWVSIDBOWTBOFJC-UHFFFAOYSA-N
XLogP4.04
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate
CID 143100877
1-butanoylpyrrolidine-2-carbaldehyde
CID 19783440
1-tetradecanoylpyrrolidine-2-carbaldehyde
CID 139473494
ethane;1-propanoylpyrrolidine-2-carbaldehyde;prop-1-ene
CID 142269082
1-(2-methylsulfanylacetyl)pyrrolidine-2-carbaldehyde
CID 14192042
(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 91416761
1-[2-(cyclopropylidenemethyl)pyrrolidin-1-yl]butan-1-one
CID 143611044
methyl N-[(2S,3R)-1-(2-formylpyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl]carbamate
CID 155093843
1-(1-ethylcyclopropanecarbonyl)pyrrolidine-2-carbaldehyde
CID 88907638
(2S)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carbaldehyde
CID 173434438
1-butanoylpyrrolidine-2-carbaldehyde;1-methylpyrrolidine-2-carboxamide
CID 172597996
1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
CID 88907637

Frequently Asked Questions

What is the IUPAC name of ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane?
The IUPAC name of ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane (CID 143100876) is ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane.
What is the SMILES notation for ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane?
The canonical SMILES for ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane is CC.CC(C)C.CCC.COC.N#COCC(=O)N1CCCC1C=O.
What is the InChIKey of ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane?
The InChIKey is WVSIDBOWTBOFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.C4H10.C3H8.C2H6O.C2H6/c9-6-13-5-8(12)10-3-1-2-7(10)4-11;1-4(2)3;2*1-3-2;1-2/h4,7H,1-3,5H2;4H,1-3H3;3H2,1-2H3;1-2H3;1-2H3.
What are the key properties of ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane?
ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane has a molecular weight of 360.54 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(2-formylpyrrolidin-1-yl)-2-oxoethyl] cyanate;methoxymethane;2-methylpropane;propane is sourced from PubChem (CID 143100876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).