10-[(2-nitrophenyl)methylidene]anthracen-9-one

C21H13NO3 — CID 23740719

IUPAC10-[(2-nitrophenyl)methylidene]anthracen-9-one
SMILESO=C1c2ccccc2C(=Cc2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C21H13NO3/c23-21-17-10-4-2-8-15(17)19(16-9-3-5-11-18(16)21)13-14-7-1-6-12-20(14)22(24)25/h1-13H
InChIKeyJUCQQITZKQFAFC-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.73
Rot. Bonds2

About 10-[(2-nitrophenyl)methylidene]anthracen-9-one

10-[(2-nitrophenyl)methylidene]anthracen-9-one (PubChem CID 23740719) has the molecular formula C21H13NO3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 10-[(2-nitrophenyl)methylidene]anthracen-9-one.

Molecular Properties

Compound Name10-[(2-nitrophenyl)methylidene]anthracen-9-one
PubChem CID23740719
Molecular FormulaC21H13NO3
Molecular Weight327.34 g/mol
Exact Mass327.09
IUPAC Name10-[(2-nitrophenyl)methylidene]anthracen-9-one
SMILESO=C1c2ccccc2C(=Cc2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C21H13NO3/c23-21-17-10-4-2-8-15(17)19(16-9-3-5-11-18(16)21)13-14-7-1-6-12-20(14)22(24)25/h1-13H
InChIKeyJUCQQITZKQFAFC-UHFFFAOYSA-N
XLogP4.73
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-nitrophenyl)methylidene]indene-1,3-dione
CID 616194
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
2-[(E)-2-(2-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 175395824
2,6-bis[(2-nitrophenyl)methylidene]cyclohexan-1-one
CID 577023
(3Z,5E)-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one
CID 89154568
(3Z)-3-[(2-nitrophenyl)methylidene]chromen-4-one
CID 2449547
(3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one
CID 5468197
(3Z,6Z)-3,6-bis[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 6533590
(2E)-4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one
CID 15618567
1-(2-nitrophenyl)anthracene-9,10-dione
CID 624934
sodium;1-nitroanthracene-9,10-dione;sulfanide
CID 174790562
(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran
CID 15194332

Frequently Asked Questions

What is the IUPAC name of 10-[(2-nitrophenyl)methylidene]anthracen-9-one?
The IUPAC name of 10-[(2-nitrophenyl)methylidene]anthracen-9-one (CID 23740719) is 10-[(2-nitrophenyl)methylidene]anthracen-9-one.
What is the SMILES notation for 10-[(2-nitrophenyl)methylidene]anthracen-9-one?
The canonical SMILES for 10-[(2-nitrophenyl)methylidene]anthracen-9-one is O=C1c2ccccc2C(=Cc2ccccc2[N+](=O)[O-])c2ccccc21.
What is the InChIKey of 10-[(2-nitrophenyl)methylidene]anthracen-9-one?
The InChIKey is JUCQQITZKQFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO3/c23-21-17-10-4-2-8-15(17)19(16-9-3-5-11-18(16)21)13-14-7-1-6-12-20(14)22(24)25/h1-13H.
What are the key properties of 10-[(2-nitrophenyl)methylidene]anthracen-9-one?
10-[(2-nitrophenyl)methylidene]anthracen-9-one has a molecular weight of 327.34 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-nitrophenyl)methylidene]anthracen-9-one is sourced from PubChem (CID 23740719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).