oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene

C16H18N2O2 — CID 159869966

IUPACoxalonitrile;prop-1-ene;prop-2-enoic acid;styrene
SMILESC=CC.C=CC(=O)O.C=Cc1ccccc1.N#CC#N
InChIInChI=1S/C8H8.C3H4O2.C3H6.C2N2/c1-2-8-6-4-3-5-7-8;1-2-3(4)5;1-3-2;3-1-2-4/h2-7H,1H2;2H,1H2,(H,4,5);3H,1H2,2H3;
InChIKeyNSFHFUKXWCLIKP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.81
Rot. Bonds2

About oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene

oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene (PubChem CID 159869966) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene.

Molecular Properties

Compound Nameoxalonitrile;prop-1-ene;prop-2-enoic acid;styrene
PubChem CID159869966
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameoxalonitrile;prop-1-ene;prop-2-enoic acid;styrene
SMILESC=CC.C=CC(=O)O.C=Cc1ccccc1.N#CC#N
InChIInChI=1S/C8H8.C3H4O2.C3H6.C2N2/c1-2-8-6-4-3-5-7-8;1-2-3(4)5;1-3-2;3-1-2-4/h2-7H,1H2;2H,1H2,(H,4,5);3H,1H2,2H3;
InChIKeyNSFHFUKXWCLIKP-UHFFFAOYSA-N
XLogP3.81
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene 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

prop-2-enoic acid;styrene
CID 160851252
carbonic acid;prop-2-enenitrile;styrene
CID 69021114
buta-1,3-diene;chloroethene;prop-2-enoic acid;styrene
CID 157412222
sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
CID 56843857
(Z)-but-2-enedioic acid;styrene
CID 67731875
2-methylidenehexanoic acid;prop-2-enenitrile;prop-2-enoic acid;styrene
CID 68639741
2-methylbuta-1,3-diene;styrene;hydrate
CID 87249473
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
prop-2-enenitrile;styrene
CID 69431186
2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene
CID 67581817
methyl 2-methylpropanoate;prop-2-enoic acid;styrene
CID 174972609
lithium;prop-2-enoate;styrene
CID 163806706

Frequently Asked Questions

What is the IUPAC name of oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene?
The IUPAC name of oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene (CID 159869966) is oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene.
What is the SMILES notation for oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene?
The canonical SMILES for oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene is C=CC.C=CC(=O)O.C=Cc1ccccc1.N#CC#N.
What is the InChIKey of oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene?
The InChIKey is NSFHFUKXWCLIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C3H4O2.C3H6.C2N2/c1-2-8-6-4-3-5-7-8;1-2-3(4)5;1-3-2;3-1-2-4/h2-7H,1H2;2H,1H2,(H,4,5);3H,1H2,2H3;.
What are the key properties of oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene?
oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene has a molecular weight of 270.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;prop-1-ene;prop-2-enoic acid;styrene is sourced from PubChem (CID 159869966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).