bis(acetonitrile);bis(propan-2-one)

C10H18N2O2 — CID 163880321

IUPACbis(acetonitrile);bis(propan-2-one)
SMILESCC#N.CC#N.CC(C)=O.CC(C)=O
InChIInChI=1S/2C3H6O.2C2H3N/c2*1-3(2)4;2*1-2-3/h2*1-2H3;2*1H3
InChIKeyPSPYUVATTXARKV-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.25
Rot. Bonds

About bis(acetonitrile);bis(propan-2-one)

bis(acetonitrile);bis(propan-2-one) (PubChem CID 163880321) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is bis(acetonitrile);bis(propan-2-one).

Molecular Properties

Compound Namebis(acetonitrile);bis(propan-2-one)
PubChem CID163880321
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namebis(acetonitrile);bis(propan-2-one)
SMILESCC#N.CC#N.CC(C)=O.CC(C)=O
InChIInChI=1S/2C3H6O.2C2H3N/c2*1-3(2)4;2*1-2-3/h2*1-2H3;2*1H3
InChIKeyPSPYUVATTXARKV-UHFFFAOYSA-N
XLogP2.25
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(acetonitrile);bis(propan-2-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetonitrile;propane;propan-2-one
CID 18955680
acetic acid;pentakis(acetonitrile)
CID 173433569
acetonitrile;butan-2-one;propan-2-one
CID 165107970
cyanic acid;propan-2-one
CID 141158454
acetonitrile;nickel(2+);diacetate
CID 161496135
acetic acid;acetonitrile;formaldehyde
CID 174459344
acetonitrile;propan-2-one;prop-2-enal
CID 87702978
acetonitrile;ethaneperoxoic acid
CID 160709042
acetonitrile;methyl acetate
CID 18363384
acetonitrile;oxolane;propan-2-one
CID 161478698
acetonitrile;acetyl bromide;benzene
CID 162000268
acetonitrile;azane;carbonic acid;methanol
CID 174612682

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(propan-2-one)?
The IUPAC name of bis(acetonitrile);bis(propan-2-one) (CID 163880321) is bis(acetonitrile);bis(propan-2-one).
What is the SMILES notation for bis(acetonitrile);bis(propan-2-one)?
The canonical SMILES for bis(acetonitrile);bis(propan-2-one) is CC#N.CC#N.CC(C)=O.CC(C)=O.
What is the InChIKey of bis(acetonitrile);bis(propan-2-one)?
The InChIKey is PSPYUVATTXARKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O.2C2H3N/c2*1-3(2)4;2*1-2-3/h2*1-2H3;2*1H3.
What are the key properties of bis(acetonitrile);bis(propan-2-one)?
bis(acetonitrile);bis(propan-2-one) has a molecular weight of 198.27 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(propan-2-one) is sourced from PubChem (CID 163880321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).