N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide

C11H11N3O4 — CID 5128885

IUPACN'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H11N3O4/c15-10(7-4-5-7)12-13-11(16)8-2-1-3-9(6-8)14(17)18/h1-3,6-7H,4-5H2,(H,12,15)(H,13,16)
InChIKeyLVASXTNARMHQPA-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.77
Rot. Bonds3

About N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide

N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide (PubChem CID 5128885) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide
PubChem CID5128885
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H11N3O4/c15-10(7-4-5-7)12-13-11(16)8-2-1-3-9(6-8)14(17)18/h1-3,6-7H,4-5H2,(H,12,15)(H,13,16)
InChIKeyLVASXTNARMHQPA-UHFFFAOYSA-N
XLogP0.77
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide (CID 5128885) is N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide is O=C(NNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide?
The InChIKey is LVASXTNARMHQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-10(7-4-5-7)12-13-11(16)8-2-1-3-9(6-8)14(17)18/h1-3,6-7H,4-5H2,(H,12,15)(H,13,16).
What are the key properties of N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide?
N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide has a molecular weight of 249.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 5128885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).