N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C12H16N4O3 — CID 80926792

IUPACN-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNNc1cc(NC2CC3CCC2O3)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N4O3/c13-15-8-3-7(4-9(5-8)16(17)18)14-11-6-10-1-2-12(11)19-10/h3-5,10-12,14-15H,1-2,6,13H2
InChIKeyWGLJPIBMHREXNN-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.61
Rot. Bonds4

About N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80926792) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80926792
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNNc1cc(NC2CC3CCC2O3)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N4O3/c13-15-8-3-7(4-9(5-8)16(17)18)14-11-6-10-1-2-12(11)19-10/h3-5,10-12,14-15H,1-2,6,13H2
InChIKeyWGLJPIBMHREXNN-UHFFFAOYSA-N
XLogP1.61
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dinitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611481
N-(4-methyl-3-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80719537
4-nitro-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)benzoic acid
CID 80716181
2-nitro-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)benzoic acid
CID 80715174
N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine
CID 80914766
6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine
CID 80611490
3-N-(2-bicyclo[2.2.1]heptanyl)-5-nitrobenzene-1,3-diamine
CID 80837421
N-[(2,4-dinitrophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715886
N-(3-hydrazinyl-5-nitrophenyl)-1,1-dioxothian-3-amine
CID 80912856
5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine
CID 102770953
N-(3-hydrazinyl-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 80904139
N-(3-chloro-2-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 113458913

Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80926792) is N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine is NNc1cc(NC2CC3CCC2O3)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is WGLJPIBMHREXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-15-8-3-7(4-9(5-8)16(17)18)14-11-6-10-1-2-12(11)19-10/h3-5,10-12,14-15H,1-2,6,13H2.
What are the key properties of N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 264.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80926792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).