oxalonitrile;pentanoic acid

C7H10N2O2 — CID 160836976

IUPACoxalonitrile;pentanoic acid
SMILESCCCCC(=O)O.N#CC#N
InChIInChI=1S/C5H10O2.C2N2/c1-2-3-4-5(6)7;3-1-2-4/h2-4H2,1H3,(H,6,7);
InChIKeySHNKZYFRFOLIBC-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.29
Rot. Bonds3

About oxalonitrile;pentanoic acid

oxalonitrile;pentanoic acid (PubChem CID 160836976) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is oxalonitrile;pentanoic acid.

Molecular Properties

Compound Nameoxalonitrile;pentanoic acid
PubChem CID160836976
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameoxalonitrile;pentanoic acid
SMILESCCCCC(=O)O.N#CC#N
InChIInChI=1S/C5H10O2.C2N2/c1-2-3-4-5(6)7;3-1-2-4/h2-4H2,1H3,(H,6,7);
InChIKeySHNKZYFRFOLIBC-UHFFFAOYSA-N
XLogP1.29
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 174614333
CID 174614333
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
octadecanoic acid;titanium;trihydrate
CID 153488689
hypochlorous acid;pentanoic acid
CID 157152267
icosane;pentanoic acid
CID 159151393
acetic acid;pentanoic acid
CID 87061456
hexanoic acid;hydrate
CID 87522641
cobalt;tetrakis(decanoic acid);titanium;tetrahydrate
CID 91844646

Frequently Asked Questions

What is the IUPAC name of oxalonitrile;pentanoic acid?
The IUPAC name of oxalonitrile;pentanoic acid (CID 160836976) is oxalonitrile;pentanoic acid.
What is the SMILES notation for oxalonitrile;pentanoic acid?
The canonical SMILES for oxalonitrile;pentanoic acid is CCCCC(=O)O.N#CC#N.
What is the InChIKey of oxalonitrile;pentanoic acid?
The InChIKey is SHNKZYFRFOLIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2N2/c1-2-3-4-5(6)7;3-1-2-4/h2-4H2,1H3,(H,6,7);.
What are the key properties of oxalonitrile;pentanoic acid?
oxalonitrile;pentanoic acid has a molecular weight of 154.17 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;pentanoic acid is sourced from PubChem (CID 160836976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).