acetonitrile;butanenitrile;ethane;ethene

C10H20N2 — CID 143235898

IUPACacetonitrile;butanenitrile;ethane;ethene
SMILESC=C.CC.CC#N.CCCC#N
InChIInChI=1S/C4H7N.C2H3N.C2H6.C2H4/c1-2-3-4-5;1-2-3;2*1-2/h2-3H2,1H3;1H3;1-2H3;1-2H2
InChIKeySHSCEWGGLWWMBU-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.67
Rot. Bonds1

About acetonitrile;butanenitrile;ethane;ethene

acetonitrile;butanenitrile;ethane;ethene (PubChem CID 143235898) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is acetonitrile;butanenitrile;ethane;ethene.

Molecular Properties

Compound Nameacetonitrile;butanenitrile;ethane;ethene
PubChem CID143235898
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameacetonitrile;butanenitrile;ethane;ethene
SMILESC=C.CC.CC#N.CCCC#N
InChIInChI=1S/C4H7N.C2H3N.C2H6.C2H4/c1-2-3-4-5;1-2-3;2*1-2/h2-3H2,1H3;1H3;1-2H3;1-2H2
InChIKeySHSCEWGGLWWMBU-UHFFFAOYSA-N
XLogP3.67
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 acetonitrile;butanenitrile;ethane;ethene?
The IUPAC name of acetonitrile;butanenitrile;ethane;ethene (CID 143235898) is acetonitrile;butanenitrile;ethane;ethene.
What is the SMILES notation for acetonitrile;butanenitrile;ethane;ethene?
The canonical SMILES for acetonitrile;butanenitrile;ethane;ethene is C=C.CC.CC#N.CCCC#N.
What is the InChIKey of acetonitrile;butanenitrile;ethane;ethene?
The InChIKey is SHSCEWGGLWWMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C2H3N.C2H6.C2H4/c1-2-3-4-5;1-2-3;2*1-2/h2-3H2,1H3;1H3;1-2H3;1-2H2.
What are the key properties of acetonitrile;butanenitrile;ethane;ethene?
acetonitrile;butanenitrile;ethane;ethene has a molecular weight of 168.28 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;butanenitrile;ethane;ethene is sourced from PubChem (CID 143235898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).