6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine

C13H14N2O2 — CID 160597163

IUPAC6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine
SMILESNC1CCCC2=C1Cc1ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H14N2O2/c14-13-3-1-2-10-11-7-9(15(16)17)5-4-8(11)6-12(10)13/h4-5,7,13H,1-3,6,14H2
InChIKeyYXRGEGFBUYOFFV-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.42
Rot. Bonds1

About 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine

6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine (PubChem CID 160597163) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine.

Molecular Properties

Compound Name6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine
PubChem CID160597163
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine
SMILESNC1CCCC2=C1Cc1ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H14N2O2/c14-13-3-1-2-10-11-7-9(15(16)17)5-4-8(11)6-12(10)13/h4-5,7,13H,1-3,6,14H2
InChIKeyYXRGEGFBUYOFFV-UHFFFAOYSA-N
XLogP2.42
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine?
The IUPAC name of 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine (CID 160597163) is 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine.
What is the SMILES notation for 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine?
The canonical SMILES for 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine is NC1CCCC2=C1Cc1ccc([N+](=O)[O-])cc12.
What is the InChIKey of 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine?
The InChIKey is YXRGEGFBUYOFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-13-3-1-2-10-11-7-9(15(16)17)5-4-8(11)6-12(10)13/h4-5,7,13H,1-3,6,14H2.
What are the key properties of 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine?
6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine has a molecular weight of 230.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine is sourced from PubChem (CID 160597163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).