2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one

C18H16N2O2 — CID 135447822

IUPAC2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one
SMILESCN(C)c1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O2/c1-20(2)13-9-7-12(8-10-13)19-11-16-17(21)14-5-3-4-6-15(14)18(16)22/h3-11,21H,1-2H3/b19-11+
InChIKeyUSQVLICOVJSDJO-YBFXNURJSA-N
MW292.34 g/mol
LogP3.62
Rot. Bonds3

About 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one

2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one (PubChem CID 135447822) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one
PubChem CID135447822
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one
SMILESCN(C)c1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O2/c1-20(2)13-9-7-12(8-10-13)19-11-16-17(21)14-5-3-4-6-15(14)18(16)22/h3-11,21H,1-2H3/b19-11+
InChIKeyUSQVLICOVJSDJO-YBFXNURJSA-N
XLogP3.62
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one (CID 135447822) is 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one is CN(C)c1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one?
The InChIKey is USQVLICOVJSDJO-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20(2)13-9-7-12(8-10-13)19-11-16-17(21)14-5-3-4-6-15(14)18(16)22/h3-11,21H,1-2H3/b19-11+.
What are the key properties of 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one?
2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one has a molecular weight of 292.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]iminomethyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135447822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).