5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine

C11H13N3O2 — CID 138978655

IUPAC5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine
SMILESCC1=C(c2cnc(N)c([N+](=O)[O-])c2)CCC1
InChIInChI=1S/C11H13N3O2/c1-7-3-2-4-9(7)8-5-10(14(15)16)11(12)13-6-8/h5-6H,2-4H2,1H3,(H2,12,13)
InChIKeyFZJHXFQJXHZIMC-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.53
Rot. Bonds2

About 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine

5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine (PubChem CID 138978655) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine
PubChem CID138978655
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine
SMILESCC1=C(c2cnc(N)c([N+](=O)[O-])c2)CCC1
InChIInChI=1S/C11H13N3O2/c1-7-3-2-4-9(7)8-5-10(14(15)16)11(12)13-6-8/h5-6H,2-4H2,1H3,(H2,12,13)
InChIKeyFZJHXFQJXHZIMC-UHFFFAOYSA-N
XLogP2.53
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.53
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 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine?
The IUPAC name of 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine (CID 138978655) is 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine is CC1=C(c2cnc(N)c([N+](=O)[O-])c2)CCC1.
What is the InChIKey of 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine?
The InChIKey is FZJHXFQJXHZIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-3-2-4-9(7)8-5-10(14(15)16)11(12)13-6-8/h5-6H,2-4H2,1H3,(H2,12,13).
What are the key properties of 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine?
5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine has a molecular weight of 219.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 138978655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).