3-anthracen-1-ylprop-2-enamide

C17H13NO — CID 118453469

IUPAC3-anthracen-1-ylprop-2-enamide
SMILESNC(=O)C=Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H13NO/c18-17(19)9-8-12-6-3-7-15-10-13-4-1-2-5-14(13)11-16(12)15/h1-11H,(H2,18,19)
InChIKeyZVWLCHBLLCBORI-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.49
Rot. Bonds2

About 3-anthracen-1-ylprop-2-enamide

3-anthracen-1-ylprop-2-enamide (PubChem CID 118453469) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-anthracen-1-ylprop-2-enamide.

Molecular Properties

Compound Name3-anthracen-1-ylprop-2-enamide
PubChem CID118453469
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name3-anthracen-1-ylprop-2-enamide
SMILESNC(=O)C=Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H13NO/c18-17(19)9-8-12-6-3-7-15-10-13-4-1-2-5-14(13)11-16(12)15/h1-11H,(H2,18,19)
InChIKeyZVWLCHBLLCBORI-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-tetracen-1-ylprop-2-enamide
CID 118453445
ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide
CID 144612318
2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
1-prop-1-enylanthracene
CID 54542061
(E)-3-anthracen-1-yl-2-methylprop-2-enoic acid
CID 22062621
(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
CID 12008629
1-penta-1,4-dienylanthracene
CID 173210436
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
1-[(E)-pent-1-enyl]anthracene
CID 173041440
3-(1-benzothiophen-2-yl)prop-2-enamide
CID 169481889
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
(1E,4E)-1,5-bis(7-bromonaphthalen-1-yl)penta-1,4-dien-3-one
CID 176830336

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-1-ylprop-2-enamide?
The IUPAC name of 3-anthracen-1-ylprop-2-enamide (CID 118453469) is 3-anthracen-1-ylprop-2-enamide.
What is the SMILES notation for 3-anthracen-1-ylprop-2-enamide?
The canonical SMILES for 3-anthracen-1-ylprop-2-enamide is NC(=O)C=Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 3-anthracen-1-ylprop-2-enamide?
The InChIKey is ZVWLCHBLLCBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c18-17(19)9-8-12-6-3-7-15-10-13-4-1-2-5-14(13)11-16(12)15/h1-11H,(H2,18,19).
What are the key properties of 3-anthracen-1-ylprop-2-enamide?
3-anthracen-1-ylprop-2-enamide has a molecular weight of 247.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-1-ylprop-2-enamide is sourced from PubChem (CID 118453469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).