(2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one

C14H11NO2 — CID 763676

IUPAC(2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one
SMILESNc1ccc2c(c1)C/C(=C/c1ccco1)C2=O
InChIInChI=1S/C14H11NO2/c15-11-3-4-13-9(7-11)6-10(14(13)16)8-12-2-1-5-17-12/h1-5,7-8H,6,15H2/b10-8-
InChIKeyPZGJVWGHJXLBFJ-NTMALXAHSA-N
MW225.25 g/mol
LogP2.68
Rot. Bonds1

About (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one

(2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one (PubChem CID 763676) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one
PubChem CID763676
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name(2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one
SMILESNc1ccc2c(c1)C/C(=C/c1ccco1)C2=O
InChIInChI=1S/C14H11NO2/c15-11-3-4-13-9(7-11)6-10(14(13)16)8-12-2-1-5-17-12/h1-5,7-8H,6,15H2/b10-8-
InChIKeyPZGJVWGHJXLBFJ-NTMALXAHSA-N
XLogP2.68
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one?
The IUPAC name of (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one (CID 763676) is (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one.
What is the SMILES notation for (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one?
The canonical SMILES for (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one is Nc1ccc2c(c1)C/C(=C/c1ccco1)C2=O.
What is the InChIKey of (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one?
The InChIKey is PZGJVWGHJXLBFJ-NTMALXAHSA-N. The full InChI is InChI=1S/C14H11NO2/c15-11-3-4-13-9(7-11)6-10(14(13)16)8-12-2-1-5-17-12/h1-5,7-8H,6,15H2/b10-8-.
What are the key properties of (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one?
(2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one has a molecular weight of 225.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one is sourced from PubChem (CID 763676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).