2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

C16H20N2O2 — CID 135411296

IUPAC2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESC/C(=N\CCCN(C)C)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O2/c1-11(17-9-6-10-18(2)3)14-15(19)12-7-4-5-8-13(12)16(14)20/h4-5,7-8,19H,6,9-10H2,1-3H3/b17-11+
InChIKeyDYOVNSICAXABNZ-GZTJUZNOSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds5

About 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (PubChem CID 135411296) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
PubChem CID135411296
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESC/C(=N\CCCN(C)C)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O2/c1-11(17-9-6-10-18(2)3)14-15(19)12-7-4-5-8-13(12)16(14)20/h4-5,7-8,19H,6,9-10H2,1-3H3/b17-11+
InChIKeyDYOVNSICAXABNZ-GZTJUZNOSA-N
XLogP2.56
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (CID 135411296) is 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is C/C(=N\CCCN(C)C)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The InChIKey is DYOVNSICAXABNZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(17-9-6-10-18(2)3)14-15(19)12-7-4-5-8-13(12)16(14)20/h4-5,7-8,19H,6,9-10H2,1-3H3/b17-11+.
What are the key properties of 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135411296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).