N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide

C13H16N2O2 — CID 13272691

IUPACN-(1,1,3,3-tetramethylinden-2-ylidene)nitramide
SMILESCC1(C)C(=N[N+](=O)[O-])C(C)(C)c2ccccc21
InChIInChI=1S/C13H16N2O2/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14-15(16)17/h5-8H,1-4H3
InChIKeyWVMKVHIRKNJCMK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.89
Rot. Bonds1

About N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide

N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide (PubChem CID 13272691) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide.

Molecular Properties

Compound NameN-(1,1,3,3-tetramethylinden-2-ylidene)nitramide
PubChem CID13272691
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1,1,3,3-tetramethylinden-2-ylidene)nitramide
SMILESCC1(C)C(=N[N+](=O)[O-])C(C)(C)c2ccccc21
InChIInChI=1S/C13H16N2O2/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14-15(16)17/h5-8H,1-4H3
InChIKeyWVMKVHIRKNJCMK-UHFFFAOYSA-N
XLogP2.89
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide?
The IUPAC name of N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide (CID 13272691) is N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide.
What is the SMILES notation for N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide?
The canonical SMILES for N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide is CC1(C)C(=N[N+](=O)[O-])C(C)(C)c2ccccc21.
What is the InChIKey of N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide?
The InChIKey is WVMKVHIRKNJCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14-15(16)17/h5-8H,1-4H3.
What are the key properties of N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide?
N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide has a molecular weight of 232.28 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide is sourced from PubChem (CID 13272691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).