(3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one

C22H16N2O3 — CID 102500179

IUPAC(3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one
SMILESCN1C(=O)/C(=C(/c2ccccc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C22H16N2O3/c1-23-19-10-6-5-9-18(19)21(22(23)25)20(15-7-3-2-4-8-15)16-11-13-17(14-12-16)24(26)27/h2-14H,1H3/b21-20-
InChIKeyDDBVVYNPZXUUQB-MRCUWXFGSA-N
MW356.38 g/mol
LogP4.53
Rot. Bonds3

About (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one

(3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one (PubChem CID 102500179) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one
PubChem CID102500179
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name(3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one
SMILESCN1C(=O)/C(=C(/c2ccccc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C22H16N2O3/c1-23-19-10-6-5-9-18(19)21(22(23)25)20(15-7-3-2-4-8-15)16-11-13-17(14-12-16)24(26)27/h2-14H,1H3/b21-20-
InChIKeyDDBVVYNPZXUUQB-MRCUWXFGSA-N
XLogP4.53
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

(3Z)-3-[(4-methoxyphenyl)-(2-nitrophenyl)methylidene]-1-methyl-5-nitroindol-2-one
CID 102298726
3-[(6-amino-2-pyridinyl)-phenylmethylidene]-1-methylindol-2-one
CID 54261469
(3E)-5-methoxy-3-[(4-methoxyphenyl)-(2-nitrophenyl)methylidene]-1-methylindol-2-one
CID 16663995
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)-2-(4-nitrophenyl)acetonitrile
CID 141335021
2-(4-nitrophenyl)-2-phenylethenone
CID 86199911
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
5-methyl-3-nitrobenzo[b][1,4]benzothiazepin-6-one
CID 23658673
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one?
The IUPAC name of (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one (CID 102500179) is (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one?
The canonical SMILES for (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one is CN1C(=O)/C(=C(/c2ccccc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one?
The InChIKey is DDBVVYNPZXUUQB-MRCUWXFGSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-23-19-10-6-5-9-18(19)21(22(23)25)20(15-7-3-2-4-8-15)16-11-13-17(14-12-16)24(26)27/h2-14H,1H3/b21-20-.
What are the key properties of (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one?
(3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one has a molecular weight of 356.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-[(4-nitrophenyl)-phenylmethylidene]indol-2-one is sourced from PubChem (CID 102500179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).