2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one

C13H11NO2 — CID 135410705

IUPAC2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/C2CC2)=C(O)c2ccccc21
InChIInChI=1S/C13H11NO2/c15-12-9-3-1-2-4-10(9)13(16)11(12)7-14-8-5-6-8/h1-4,7-8,15H,5-6H2/b14-7+
InChIKeyFQTOMXXKMRJDBV-VGOFMYFVSA-N
MW213.24 g/mol
LogP2.39
Rot. Bonds2

About 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one

2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one (PubChem CID 135410705) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one
PubChem CID135410705
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/C2CC2)=C(O)c2ccccc21
InChIInChI=1S/C13H11NO2/c15-12-9-3-1-2-4-10(9)13(16)11(12)7-14-8-5-6-8/h1-4,7-8,15H,5-6H2/b14-7+
InChIKeyFQTOMXXKMRJDBV-VGOFMYFVSA-N
XLogP2.39
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.39
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

1H-Indene-1,3(2H)-dione, 2-(((2-methylpropyl)amino)methylene)-
CID 135442004
2-[(methylamino)methylene]-1H-indene-1,3(2H)-dione
CID 135416860
2-(1-{[3-(diethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411339
2-[1-(cyclohexylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135441997
(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)((2-hydroxyethyl)amino)acetonitrile
CID 135403621
1H-Indene-1,3(2H)-dione, 2-((ethylamino)methylene)-
CID 135416861
1H-Indene-1,3(2H)-dione, 2-(((1-methylethyl)amino)methylene)-
CID 135416870
1H-Indene-1,3(2H)-dione, 2-(((cyclopropylmethyl)amino)methylene)-
CID 135489575
2-[1-(2,2-dimethylhydrazino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135401411
2-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411296
2-(1-Cyclopropylamino-ethylidene)-indan-1,3-dione
CID 135421775
2-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-1H-indene-1,3(2H)-dione
CID 135423538

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one (CID 135410705) is 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one is O=C1C(/C=N/C2CC2)=C(O)c2ccccc21.
What is the InChIKey of 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one?
The InChIKey is FQTOMXXKMRJDBV-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12-9-3-1-2-4-10(9)13(16)11(12)7-14-8-5-6-8/h1-4,7-8,15H,5-6H2/b14-7+.
What are the key properties of 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one?
2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one has a molecular weight of 213.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropyliminomethyl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135410705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).