2-aminoprop-2-enenitrile;buta-1,3-diene;styrene

C15H18N2 — CID 175257886

IUPAC2-aminoprop-2-enenitrile;buta-1,3-diene;styrene
SMILESC=C(N)C#N.C=CC=C.C=Cc1ccccc1
InChIInChI=1S/C8H8.C4H6.C3H4N2/c1-2-8-6-4-3-5-7-8;1-3-4-2;1-3(5)2-4/h2-7H,1H2;3-4H,1-2H2;1,5H2
InChIKeyFIPCTGNTEZBDKQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.67
Rot. Bonds2

About 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene

2-aminoprop-2-enenitrile;buta-1,3-diene;styrene (PubChem CID 175257886) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene.

Molecular Properties

Compound Name2-aminoprop-2-enenitrile;buta-1,3-diene;styrene
PubChem CID175257886
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-aminoprop-2-enenitrile;buta-1,3-diene;styrene
SMILESC=C(N)C#N.C=CC=C.C=Cc1ccccc1
InChIInChI=1S/C8H8.C4H6.C3H4N2/c1-2-8-6-4-3-5-7-8;1-3-4-2;1-3(5)2-4/h2-7H,1H2;3-4H,1-2H2;1,5H2
InChIKeyFIPCTGNTEZBDKQ-UHFFFAOYSA-N
XLogP3.67
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-aminoprop-2-enenitrile;buta-1,3-diene;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

buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
hydroxylamine;styrene
CID 18314782
prop-2-enenitrile;styrene
CID 69431186
buta-1,3-diene;bis(prop-2-enenitrile);prop-1-en-2-ylbenzene;styrene
CID 173419899
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906
buta-1,3-diene;butane-1,4-diol;prop-2-enenitrile;styrene
CID 175084510
carbonic acid;prop-2-enenitrile;styrene
CID 69021114
buta-1,3-diene;fluoromethane;styrene
CID 174915183
ethenol;styrene
CID 66670047
2-methylbuta-1,3-diene;styrene;hydrate
CID 87249473
styrene;tetrahydrofluoride
CID 68985344
benzene;ethene;styrene
CID 159006852

Frequently Asked Questions

What is the IUPAC name of 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene?
The IUPAC name of 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene (CID 175257886) is 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene.
What is the SMILES notation for 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene?
The canonical SMILES for 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene is C=C(N)C#N.C=CC=C.C=Cc1ccccc1.
What is the InChIKey of 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene?
The InChIKey is FIPCTGNTEZBDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H6.C3H4N2/c1-2-8-6-4-3-5-7-8;1-3-4-2;1-3(5)2-4/h2-7H,1H2;3-4H,1-2H2;1,5H2.
What are the key properties of 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene?
2-aminoprop-2-enenitrile;buta-1,3-diene;styrene has a molecular weight of 226.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoprop-2-enenitrile;buta-1,3-diene;styrene is sourced from PubChem (CID 175257886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).