4-anthracen-9-ylbut-3-enamide

C18H15NO — CID 170798903

IUPAC4-anthracen-9-ylbut-3-enamide
SMILESNC(=O)CC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H15NO/c19-18(20)11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11H2,(H2,19,20)
InChIKeyVBKYSCMDPYAZTK-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.88
Rot. Bonds3

About 4-anthracen-9-ylbut-3-enamide

4-anthracen-9-ylbut-3-enamide (PubChem CID 170798903) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-anthracen-9-ylbut-3-enamide.

Molecular Properties

Compound Name4-anthracen-9-ylbut-3-enamide
PubChem CID170798903
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name4-anthracen-9-ylbut-3-enamide
SMILESNC(=O)CC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H15NO/c19-18(20)11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11H2,(H2,19,20)
InChIKeyVBKYSCMDPYAZTK-UHFFFAOYSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
S-(3-anthracen-9-ylprop-2-enyl) ethanethioate
CID 169458206
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
9-pent-1-enylanthracene
CID 173045692
9-(4-bromobut-1-enyl)anthracene
CID 170498426
4-hydroxybutyl (E)-3-anthracen-9-ylprop-2-enoate
CID 101205038
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
(E)-1,3-di(anthracen-9-yl)prop-2-en-1-one
CID 10201508
4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721
(Z)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one
CID 92909364
(3E,5E)-6-anthracen-9-ylhexa-3,5-dien-2-one
CID 15507546
methyl (E)-5-anthracen-9-yl-2,2-bis(trifluoromethyl)pent-4-enoate
CID 102104833

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-ylbut-3-enamide?
The IUPAC name of 4-anthracen-9-ylbut-3-enamide (CID 170798903) is 4-anthracen-9-ylbut-3-enamide.
What is the SMILES notation for 4-anthracen-9-ylbut-3-enamide?
The canonical SMILES for 4-anthracen-9-ylbut-3-enamide is NC(=O)CC=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 4-anthracen-9-ylbut-3-enamide?
The InChIKey is VBKYSCMDPYAZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c19-18(20)11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11H2,(H2,19,20).
What are the key properties of 4-anthracen-9-ylbut-3-enamide?
4-anthracen-9-ylbut-3-enamide has a molecular weight of 261.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-ylbut-3-enamide is sourced from PubChem (CID 170798903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).