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

C13H11NO3 — CID 135408214

IUPACN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide
SMILESCCC(=O)/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C13H11NO3/c1-2-11(15)14-7-10-12(16)8-5-3-4-6-9(8)13(10)17/h3-7,16H,2H2,1H3/b14-7+
InChIKeyKTUXVZBOKZVSSI-VGOFMYFVSA-N
MW229.23 g/mol
LogP2.16
Rot. Bonds2

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

N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide (PubChem CID 135408214) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide
PubChem CID135408214
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC NameN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide
SMILESCCC(=O)/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C13H11NO3/c1-2-11(15)14-7-10-12(16)8-5-3-4-6-9(8)13(10)17/h3-7,16H,2H2,1H3/b14-7+
InChIKeyKTUXVZBOKZVSSI-VGOFMYFVSA-N
XLogP2.16
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.16
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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Related Compounds

CID 135442004
CID 135442004
CID 135416860
CID 135416860
CID 135411339
CID 135411339
CID 135441997
CID 135441997
CID 135403621
CID 135403621
CID 135416861
CID 135416861
CID 135416870
CID 135416870
CID 135489575
CID 135489575
CID 135401411
CID 135401411
CID 135410705
CID 135410705
CID 135411296
CID 135411296
CID 135417047
CID 135417047

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide?
The IUPAC name of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide (CID 135408214) is N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide.
What is the SMILES notation for N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide?
The canonical SMILES for N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide is CCC(=O)/N=C/C1=C(O)c2ccccc2C1=O.
What is the InChIKey of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide?
The InChIKey is KTUXVZBOKZVSSI-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H11NO3/c1-2-11(15)14-7-10-12(16)8-5-3-4-6-9(8)13(10)17/h3-7,16H,2H2,1H3/b14-7+.
What are the key properties of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide?
N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]propanamide has a molecular weight of 229.23 g/mol, XLogP of 2.16, 2 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]propanamide is sourced from PubChem (CID 135408214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).