7-nitro-1,2,3,4-tetrahydroacridin-9-amine

C13H13N3O2 — CID 11287987

IUPAC7-nitro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccc([N+](=O)[O-])cc13)CCCC2
InChIInChI=1S/C13H13N3O2/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16(17)18)7-10(12)13/h5-7H,1-4H2,(H2,14,15)
InChIKeyAJQFTXAZPPOZGU-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.60
Rot. Bonds1

About 7-nitro-1,2,3,4-tetrahydroacridin-9-amine

7-nitro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 11287987) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7-nitro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-nitro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID11287987
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name7-nitro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccc([N+](=O)[O-])cc13)CCCC2
InChIInChI=1S/C13H13N3O2/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16(17)18)7-10(12)13/h5-7H,1-4H2,(H2,14,15)
InChIKeyAJQFTXAZPPOZGU-UHFFFAOYSA-N
XLogP2.60
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 7-nitro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-nitro-1,2,3,4-tetrahydroacridin-9-amine (CID 11287987) is 7-nitro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-nitro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-nitro-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3ccc([N+](=O)[O-])cc13)CCCC2.
What is the InChIKey of 7-nitro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is AJQFTXAZPPOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16(17)18)7-10(12)13/h5-7H,1-4H2,(H2,14,15).
What are the key properties of 7-nitro-1,2,3,4-tetrahydroacridin-9-amine?
7-nitro-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 243.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 11287987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).