2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate

C16H11N4O4- — CID 6870682

IUPAC2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc2cc[nH]c12
InChIInChI=1S/C16H12N4O4/c21-14-5-4-12(20(23)24)8-11(14)9-18-19-16(22)13-3-1-2-10-6-7-17-15(10)13/h1-9,17,21H,(H,19,22)/p-1/b18-9+
InChIKeyXRLYSOSWDPXXAX-GIJQJNRQSA-M
MW323.29 g/mol
LogP1.91
Rot. Bonds4

About 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate

2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate (PubChem CID 6870682) has the molecular formula C16H11N4O4- and a molecular weight of 323.29 g/mol. Its IUPAC name is 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate
PubChem CID6870682
Molecular FormulaC16H11N4O4-
Molecular Weight323.29 g/mol
Exact Mass323.08
IUPAC Name2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc2cc[nH]c12
InChIInChI=1S/C16H12N4O4/c21-14-5-4-12(20(23)24)8-11(14)9-18-19-16(22)13-3-1-2-10-6-7-17-15(10)13/h1-9,17,21H,(H,19,22)/p-1/b18-9+
InChIKeyXRLYSOSWDPXXAX-GIJQJNRQSA-M
XLogP1.91
TPSA123.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135582503
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
CID 5339577
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide
CID 135959939
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
N-(furan-2-ylmethylideneamino)-1H-indole-7-carboxamide
CID 934241
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
2-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 6887735
2-chloro-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
CID 5334573

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate?
The IUPAC name of 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate (CID 6870682) is 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate.
What is the SMILES notation for 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate?
The canonical SMILES for 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc2cc[nH]c12.
What is the InChIKey of 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate?
The InChIKey is XRLYSOSWDPXXAX-GIJQJNRQSA-M. The full InChI is InChI=1S/C16H12N4O4/c21-14-5-4-12(20(23)24)8-11(14)9-18-19-16(22)13-3-1-2-10-6-7-17-15(10)13/h1-9,17,21H,(H,19,22)/p-1/b18-9+.
What are the key properties of 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate?
2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate has a molecular weight of 323.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate is sourced from PubChem (CID 6870682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).