N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide

C12H9NO3 — CID 135421650

IUPACN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide
SMILESCC(=O)/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C12H9NO3/c1-7(14)13-6-10-11(15)8-4-2-3-5-9(8)12(10)16/h2-6,15H,1H3/b13-6+
InChIKeyPDZRFMXAUCBLAN-AWNIVKPZSA-N
MW215.21 g/mol
LogP1.77
Rot. Bonds1

About N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide

N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide (PubChem CID 135421650) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide
PubChem CID135421650
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC NameN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide
SMILESCC(=O)/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C12H9NO3/c1-7(14)13-6-10-11(15)8-4-2-3-5-9(8)12(10)16/h2-6,15H,1H3/b13-6+
InChIKeyPDZRFMXAUCBLAN-AWNIVKPZSA-N
XLogP1.77
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide?
The IUPAC name of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide (CID 135421650) is N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide.
What is the SMILES notation for N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide?
The canonical SMILES for N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide is CC(=O)/N=C/C1=C(O)c2ccccc2C1=O.
What is the InChIKey of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide?
The InChIKey is PDZRFMXAUCBLAN-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H9NO3/c1-7(14)13-6-10-11(15)8-4-2-3-5-9(8)12(10)16/h2-6,15H,1H3/b13-6+.
What are the key properties of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide?
N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide has a molecular weight of 215.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]acetamide is sourced from PubChem (CID 135421650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).