N,N-dimethylformamide;ethanol;methanol;propan-2-one

C9H23NO4 — CID 172828368

IUPACN,N-dimethylformamide;ethanol;methanol;propan-2-one
SMILESCC(C)=O.CCO.CN(C)C=O.CO
InChIInChI=1S/C3H7NO.C3H6O.C2H6O.CH4O/c1-4(2)3-5;1-3(2)4;1-2-3;1-2/h3H,1-2H3;1-2H3;3H,2H2,1H3;2H,1H3
InChIKeyVEJCDRCRIYAYHE-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.09
Rot. Bonds1

About N,N-dimethylformamide;ethanol;methanol;propan-2-one

N,N-dimethylformamide;ethanol;methanol;propan-2-one (PubChem CID 172828368) has the molecular formula C9H23NO4 and a molecular weight of 209.29 g/mol. Its IUPAC name is N,N-dimethylformamide;ethanol;methanol;propan-2-one.

Molecular Properties

Compound NameN,N-dimethylformamide;ethanol;methanol;propan-2-one
PubChem CID172828368
Molecular FormulaC9H23NO4
Molecular Weight209.29 g/mol
Exact Mass209.16
IUPAC NameN,N-dimethylformamide;ethanol;methanol;propan-2-one
SMILESCC(C)=O.CCO.CN(C)C=O.CO
InChIInChI=1S/C3H7NO.C3H6O.C2H6O.CH4O/c1-4(2)3-5;1-3(2)4;1-2-3;1-2/h3H,1-2H3;1-2H3;3H,2H2,1H3;2H,1H3
InChIKeyVEJCDRCRIYAYHE-UHFFFAOYSA-N
XLogP-0.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N,N-dimethylformamide;ethanol
CID 88751459
dichloromethane;N,N-dimethylformamide;propan-2-one
CID 172808068
CID 159352431
CID 159352431
2-aminoethanol;N,N-dimethylformamide
CID 88603613
acetaldehyde;ethanol;methanol
CID 159165678
N,N-dimethylformamide;molecular chlorine
CID 86751989
pentakis(N,N-dimethylformamide);ethane
CID 54023735
N,N-dimethylformamide;dodecane
CID 174900991
ethanol;methanol;propan-2-ol;propan-2-one
CID 159107328
acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol
CID 174945184
N,N-dimethylformamide;ethyl acetate;hexane
CID 87063989
N,N-dimethylformamide;silicic acid
CID 162024384

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;ethanol;methanol;propan-2-one?
The IUPAC name of N,N-dimethylformamide;ethanol;methanol;propan-2-one (CID 172828368) is N,N-dimethylformamide;ethanol;methanol;propan-2-one.
What is the SMILES notation for N,N-dimethylformamide;ethanol;methanol;propan-2-one?
The canonical SMILES for N,N-dimethylformamide;ethanol;methanol;propan-2-one is CC(C)=O.CCO.CN(C)C=O.CO.
What is the InChIKey of N,N-dimethylformamide;ethanol;methanol;propan-2-one?
The InChIKey is VEJCDRCRIYAYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H6O.C2H6O.CH4O/c1-4(2)3-5;1-3(2)4;1-2-3;1-2/h3H,1-2H3;1-2H3;3H,2H2,1H3;2H,1H3.
What are the key properties of N,N-dimethylformamide;ethanol;methanol;propan-2-one?
N,N-dimethylformamide;ethanol;methanol;propan-2-one has a molecular weight of 209.29 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;ethanol;methanol;propan-2-one is sourced from PubChem (CID 172828368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).