prop-2-enenitrile;prop-1-yne

C6H7N — CID 141109996

IUPACprop-2-enenitrile;prop-1-yne
SMILESC#CC.C=CC#N
InChIInChI=1S/C3H3N.C3H4/c1-2-3-4;1-3-2/h2H,1H2;1H,2H3
InChIKeyQRICKSWRXYOPQA-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.34
Rot. Bonds

About prop-2-enenitrile;prop-1-yne

prop-2-enenitrile;prop-1-yne (PubChem CID 141109996) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is prop-2-enenitrile;prop-1-yne.

Molecular Properties

Compound Nameprop-2-enenitrile;prop-1-yne
PubChem CID141109996
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Nameprop-2-enenitrile;prop-1-yne
SMILESC#CC.C=CC#N
InChIInChI=1S/C3H3N.C3H4/c1-2-3-4;1-3-2/h2H,1H2;1H,2H3
InChIKeyQRICKSWRXYOPQA-UHFFFAOYSA-N
XLogP1.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze prop-2-enenitrile;prop-1-yne 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-enenitrile;dihydrate
CID 175150408
methanol;prop-2-enenitrile
CID 19700097
CID 163776931
CID 163776931
CID 159057552
CID 159057552
platinum;prop-2-enenitrile
CID 159226691
prop-2-enenitrile;selane
CID 175541526
sodium;prop-2-enenitrile;cyanide
CID 160859607
acetic acid;prop-2-enenitrile
CID 87100572
carbon monoxide;bis(prop-2-enenitrile);tungsten
CID 134899253
sodium;hydride;prop-2-enenitrile;thiocyanic acid
CID 174758576
propane;prop-1-ene;prop-1-yne
CID 144517597
prop-2-enenitrile;1,1,2,2-tetrafluoroethene
CID 174809143

Frequently Asked Questions

What is the IUPAC name of prop-2-enenitrile;prop-1-yne?
The IUPAC name of prop-2-enenitrile;prop-1-yne (CID 141109996) is prop-2-enenitrile;prop-1-yne.
What is the SMILES notation for prop-2-enenitrile;prop-1-yne?
The canonical SMILES for prop-2-enenitrile;prop-1-yne is C#CC.C=CC#N.
What is the InChIKey of prop-2-enenitrile;prop-1-yne?
The InChIKey is QRICKSWRXYOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N.C3H4/c1-2-3-4;1-3-2/h2H,1H2;1H,2H3.
What are the key properties of prop-2-enenitrile;prop-1-yne?
prop-2-enenitrile;prop-1-yne has a molecular weight of 93.13 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enenitrile;prop-1-yne is sourced from PubChem (CID 141109996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).