5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

C17H13N3O5 — CID 135563988

IUPAC5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(/N=C/c3ccccc3[N+](=O)[O-])cc2C12OCCO2
InChIInChI=1S/C17H13N3O5/c21-16-17(24-7-8-25-17)13-9-12(5-6-14(13)19-16)18-10-11-3-1-2-4-15(11)20(22)23/h1-6,9-10H,7-8H2,(H,19,21)/b18-10+
InChIKeyZZKMLHLGBYIICR-VCHYOVAHSA-N
MW339.31 g/mol
LogP2.50
Rot. Bonds3

About 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (PubChem CID 135563988) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
PubChem CID135563988
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(/N=C/c3ccccc3[N+](=O)[O-])cc2C12OCCO2
InChIInChI=1S/C17H13N3O5/c21-16-17(24-7-8-25-17)13-9-12(5-6-14(13)19-16)18-10-11-3-1-2-4-15(11)20(22)23/h1-6,9-10H,7-8H2,(H,19,21)/b18-10+
InChIKeyZZKMLHLGBYIICR-VCHYOVAHSA-N
XLogP2.50
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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

N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
CID 1378215
1-(2-nitrophenyl)-N-[4-[[4-[(2-nitrophenyl)methylideneamino]phenyl]disulfanyl]phenyl]methanimine
CID 87673126
N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
CID 794546
1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
CID 4067599
5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 67532672
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
1-(2-nitrophenyl)-N-[4-[6-[4-[(2-nitrophenyl)methylideneamino]phenyl]pyrimidin-4-yl]phenyl]methanimine
CID 45146285
2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane
CID 67020081
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
CID 71373871

Frequently Asked Questions

What is the IUPAC name of 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (CID 135563988) is 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is O=C1Nc2ccc(/N=C/c3ccccc3[N+](=O)[O-])cc2C12OCCO2.
What is the InChIKey of 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The InChIKey is ZZKMLHLGBYIICR-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H13N3O5/c21-16-17(24-7-8-25-17)13-9-12(5-6-14(13)19-16)18-10-11-3-1-2-4-15(11)20(22)23/h1-6,9-10H,7-8H2,(H,19,21)/b18-10+.
What are the key properties of 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one has a molecular weight of 339.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 135563988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).