1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine

C13H17N3O2 — CID 117062478

IUPAC1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine
SMILESCN(C)NC1=CCCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H17N3O2/c1-15(2)14-13-6-4-3-5-10-7-8-11(16(17)18)9-12(10)13/h6-9,14H,3-5H2,1-2H3
InChIKeyLDEOXQNDPYBFOC-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.34
Rot. Bonds3

About 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine

1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine (PubChem CID 117062478) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine
PubChem CID117062478
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine
SMILESCN(C)NC1=CCCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H17N3O2/c1-15(2)14-13-6-4-3-5-10-7-8-11(16(17)18)9-12(10)13/h6-9,14H,3-5H2,1-2H3
InChIKeyLDEOXQNDPYBFOC-UHFFFAOYSA-N
XLogP2.34
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine?
The IUPAC name of 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine (CID 117062478) is 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine?
The canonical SMILES for 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine is CN(C)NC1=CCCCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine?
The InChIKey is LDEOXQNDPYBFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15(2)14-13-6-4-3-5-10-7-8-11(16(17)18)9-12(10)13/h6-9,14H,3-5H2,1-2H3.
What are the key properties of 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine?
1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine has a molecular weight of 247.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine is sourced from PubChem (CID 117062478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).