(2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one

C19H14N2O3 — CID 6517331

IUPAC(2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
SMILESO=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H14N2O3/c22-19-13(10-12-4-3-5-14(11-12)21(23)24)8-9-16-15-6-1-2-7-17(15)20-18(16)19/h1-7,10-11,20H,8-9H2/b13-10+
InChIKeyFDPNBTXBRIFHTK-JLHYYAGUSA-N
MW318.33 g/mol
LogP4.29
Rot. Bonds2

About (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one

(2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one (PubChem CID 6517331) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name(2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
PubChem CID6517331
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name(2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
SMILESO=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H14N2O3/c22-19-13(10-12-4-3-5-14(11-12)21(23)24)8-9-16-15-6-1-2-7-17(15)20-18(16)19/h1-7,10-11,20H,8-9H2/b13-10+
InChIKeyFDPNBTXBRIFHTK-JLHYYAGUSA-N
XLogP4.29
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one
CID 155542140
(2E,6E)-2-[(3-chlorophenyl)methylidene]-6-[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 57395209
(3Z,5Z)-3,5-bis[(3-nitrophenyl)methylidene]-1,1-dioxothian-4-one
CID 118732462
2-[(4-methoxyphenyl)methylidene]-5-[(3-nitrophenyl)methylidene]cyclopentan-1-one
CID 71899687
(2Z)-2-[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 19958941
(7E)-4-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-2-oxo-5,6-dihydro-1H-cyclopenta[b]pyridine-3-carbonitrile
CID 12652338
2-[(1-methylpyrazol-4-yl)methylidene]-5-[(3-nitrophenyl)methylidene]cyclopentan-1-one
CID 91942213
(2E)-6-methoxy-2-[(3-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2054595
2,3-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 164714424
(3Z)-3-[(3-nitrophenyl)methylidene]thian-4-one
CID 125477344
2-[(3-nitrophenyl)methylidene]cycloheptane-1,3-dione
CID 21436724
(2E)-6-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 176909761

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one (CID 6517331) is (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one is O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2c1[nH]c1ccccc21.
What is the InChIKey of (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is FDPNBTXBRIFHTK-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19-13(10-12-4-3-5-14(11-12)21(23)24)8-9-16-15-6-1-2-7-17(15)20-18(16)19/h1-7,10-11,20H,8-9H2/b13-10+.
What are the key properties of (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one?
(2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 318.33 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 6517331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).