N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide

C12H13N3O5 — CID 47443157

IUPACN'-(3-nitrobenzoyl)oxolane-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCOC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H13N3O5/c16-11(8-2-1-3-10(6-8)15(18)19)13-14-12(17)9-4-5-20-7-9/h1-3,6,9H,4-5,7H2,(H,13,16)(H,14,17)
InChIKeyYXBXAVKMWUWMKG-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.39
Rot. Bonds3

About N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide

N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide (PubChem CID 47443157) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-nitrobenzoyl)oxolane-3-carbohydrazide
PubChem CID47443157
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC NameN'-(3-nitrobenzoyl)oxolane-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCOC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H13N3O5/c16-11(8-2-1-3-10(6-8)15(18)19)13-14-12(17)9-4-5-20-7-9/h1-3,6,9H,4-5,7H2,(H,13,16)(H,14,17)
InChIKeyYXBXAVKMWUWMKG-UHFFFAOYSA-N
XLogP0.39
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea
CID 47131760
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CID 8867215
N-morpholin-4-yl-3-nitrobenzamide
CID 871425
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
tert-butyl (2S)-2-[[(3-nitrobenzoyl)amino]carbamoyl]pyrrolidine-1-carboxylate
CID 55944175
N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide
CID 8763621
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 3548289

Frequently Asked Questions

What is the IUPAC name of N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide?
The IUPAC name of N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide (CID 47443157) is N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide.
What is the SMILES notation for N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide?
The canonical SMILES for N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide is O=C(NNC(=O)C1CCOC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide?
The InChIKey is YXBXAVKMWUWMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c16-11(8-2-1-3-10(6-8)15(18)19)13-14-12(17)9-4-5-20-7-9/h1-3,6,9H,4-5,7H2,(H,13,16)(H,14,17).
What are the key properties of N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide?
N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide has a molecular weight of 279.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide is sourced from PubChem (CID 47443157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).