N-tert-butyl-3-nitrobenzohydrazide

C11H15N3O3 — CID 134113421

IUPACN-tert-butyl-3-nitrobenzohydrazide
SMILESCC(C)(C)N(N)C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-11(2,3)13(12)10(15)8-5-4-6-9(7-8)14(16)17/h4-7H,12H2,1-3H3
InChIKeyPVVOTNDRBFWVLS-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.71
Rot. Bonds2

About N-tert-butyl-3-nitrobenzohydrazide

N-tert-butyl-3-nitrobenzohydrazide (PubChem CID 134113421) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-tert-butyl-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-3-nitrobenzohydrazide
PubChem CID134113421
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-tert-butyl-3-nitrobenzohydrazide
SMILESCC(C)(C)N(N)C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-11(2,3)13(12)10(15)8-5-4-6-9(7-8)14(16)17/h4-7H,12H2,1-3H3
InChIKeyPVVOTNDRBFWVLS-UHFFFAOYSA-N
XLogP1.71
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide
CID 146170231
N,N-bis(2-amino-2-oxoethyl)-3-nitrobenzamide
CID 20505193
N-(benzenesulfonyl)-3-nitrobenzohydrazide
CID 53437533
4-(3-nitrobenzoyl)benzoic acid
CID 803392
2-[carboxymethyl-(3-nitrobenzoyl)amino]acetic acid
CID 63651373
N-(4-cyanophenyl)-N-methyl-3-nitrobenzamide
CID 62983456
benzamide;3-nitrobenzoic acid
CID 139144379
3-nitrobenzoyl iodide
CID 87511250
N-methyl-3-nitro-N-pyrimidin-5-ylbenzamide
CID 69180461
cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
2-(dimethylamino)-1-(3-nitrophenyl)ethanone
CID 43219662

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-nitrobenzohydrazide?
The IUPAC name of N-tert-butyl-3-nitrobenzohydrazide (CID 134113421) is N-tert-butyl-3-nitrobenzohydrazide.
What is the SMILES notation for N-tert-butyl-3-nitrobenzohydrazide?
The canonical SMILES for N-tert-butyl-3-nitrobenzohydrazide is CC(C)(C)N(N)C(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-tert-butyl-3-nitrobenzohydrazide?
The InChIKey is PVVOTNDRBFWVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2,3)13(12)10(15)8-5-4-6-9(7-8)14(16)17/h4-7H,12H2,1-3H3.
What are the key properties of N-tert-butyl-3-nitrobenzohydrazide?
N-tert-butyl-3-nitrobenzohydrazide has a molecular weight of 237.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-nitrobenzohydrazide is sourced from PubChem (CID 134113421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).