3-tetracen-1-ylprop-2-enamide

C21H15NO — CID 118453445

IUPAC3-tetracen-1-ylprop-2-enamide
SMILESNC(=O)C=Cc1cccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C21H15NO/c22-21(23)9-8-14-6-3-7-17-12-18-10-15-4-1-2-5-16(15)11-19(18)13-20(14)17/h1-13H,(H2,22,23)
InChIKeyIMKVOYKSLINBHD-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.64
Rot. Bonds2

About 3-tetracen-1-ylprop-2-enamide

3-tetracen-1-ylprop-2-enamide (PubChem CID 118453445) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-tetracen-1-ylprop-2-enamide.

Molecular Properties

Compound Name3-tetracen-1-ylprop-2-enamide
PubChem CID118453445
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name3-tetracen-1-ylprop-2-enamide
SMILESNC(=O)C=Cc1cccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C21H15NO/c22-21(23)9-8-14-6-3-7-17-12-18-10-15-4-1-2-5-16(15)11-19(18)13-20(14)17/h1-13H,(H2,22,23)
InChIKeyIMKVOYKSLINBHD-UHFFFAOYSA-N
XLogP4.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.64
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-anthracen-1-ylprop-2-enamide
CID 118453469
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
(1E,4E)-1,5-bis(7-bromonaphthalen-1-yl)penta-1,4-dien-3-one
CID 176830336
2-tetracen-1-ylacetamide
CID 139927285
(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
CID 175042046
CID 175042046
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
3-(1-benzothiophen-2-yl)prop-2-enamide
CID 169481889

Frequently Asked Questions

What is the IUPAC name of 3-tetracen-1-ylprop-2-enamide?
The IUPAC name of 3-tetracen-1-ylprop-2-enamide (CID 118453445) is 3-tetracen-1-ylprop-2-enamide.
What is the SMILES notation for 3-tetracen-1-ylprop-2-enamide?
The canonical SMILES for 3-tetracen-1-ylprop-2-enamide is NC(=O)C=Cc1cccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 3-tetracen-1-ylprop-2-enamide?
The InChIKey is IMKVOYKSLINBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c22-21(23)9-8-14-6-3-7-17-12-18-10-15-4-1-2-5-16(15)11-19(18)13-20(14)17/h1-13H,(H2,22,23).
What are the key properties of 3-tetracen-1-ylprop-2-enamide?
3-tetracen-1-ylprop-2-enamide has a molecular weight of 297.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tetracen-1-ylprop-2-enamide is sourced from PubChem (CID 118453445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).