3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one

C16H16N2O2 — CID 2945340

IUPAC3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESNc1ccccc1NC1=CC(=O)CC(c2ccco2)C1
InChIInChI=1S/C16H16N2O2/c17-14-4-1-2-5-15(14)18-12-8-11(9-13(19)10-12)16-6-3-7-20-16/h1-7,10-11,18H,8-9,17H2
InChIKeyWBOWSNNYOGJKHG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.30
Rot. Bonds3

About 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one

3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (PubChem CID 2945340) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
PubChem CID2945340
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESNc1ccccc1NC1=CC(=O)CC(c2ccco2)C1
InChIInChI=1S/C16H16N2O2/c17-14-4-1-2-5-15(14)18-12-8-11(9-13(19)10-12)16-6-3-7-20-16/h1-7,10-11,18H,8-9,17H2
InChIKeyWBOWSNNYOGJKHG-UHFFFAOYSA-N
XLogP3.30
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (CID 2945340) is 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is Nc1ccccc1NC1=CC(=O)CC(c2ccco2)C1.
What is the InChIKey of 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The InChIKey is WBOWSNNYOGJKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-14-4-1-2-5-15(14)18-12-8-11(9-13(19)10-12)16-6-3-7-20-16/h1-7,10-11,18H,8-9,17H2.
What are the key properties of 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one has a molecular weight of 268.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 2945340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).