2-(cyclopentylamino)naphthalene-1,4-dione

C15H15NO2 — CID 71720678

IUPAC2-(cyclopentylamino)naphthalene-1,4-dione
SMILESO=C1C=C(NC2CCCC2)C(=O)c2ccccc21
InChIInChI=1S/C15H15NO2/c17-14-9-13(16-10-5-1-2-6-10)15(18)12-8-4-3-7-11(12)14/h3-4,7-10,16H,1-2,5-6H2
InChIKeyZFPKKKWTKDHCEU-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.48
Rot. Bonds2

About 2-(cyclopentylamino)naphthalene-1,4-dione

2-(cyclopentylamino)naphthalene-1,4-dione (PubChem CID 71720678) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(cyclopentylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(cyclopentylamino)naphthalene-1,4-dione
PubChem CID71720678
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(cyclopentylamino)naphthalene-1,4-dione
SMILESO=C1C=C(NC2CCCC2)C(=O)c2ccccc21
InChIInChI=1S/C15H15NO2/c17-14-9-13(16-10-5-1-2-6-10)15(18)12-8-4-3-7-11(12)14/h3-4,7-10,16H,1-2,5-6H2
InChIKeyZFPKKKWTKDHCEU-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)naphthalene-1,4-dione?
The IUPAC name of 2-(cyclopentylamino)naphthalene-1,4-dione (CID 71720678) is 2-(cyclopentylamino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(cyclopentylamino)naphthalene-1,4-dione?
The canonical SMILES for 2-(cyclopentylamino)naphthalene-1,4-dione is O=C1C=C(NC2CCCC2)C(=O)c2ccccc21.
What is the InChIKey of 2-(cyclopentylamino)naphthalene-1,4-dione?
The InChIKey is ZFPKKKWTKDHCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-9-13(16-10-5-1-2-6-10)15(18)12-8-4-3-7-11(12)14/h3-4,7-10,16H,1-2,5-6H2.
What are the key properties of 2-(cyclopentylamino)naphthalene-1,4-dione?
2-(cyclopentylamino)naphthalene-1,4-dione has a molecular weight of 241.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)naphthalene-1,4-dione is sourced from PubChem (CID 71720678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).