2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide

C18H21NO2 — CID 159477869

IUPAC2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide
SMILESCC(=O)/C=C/CNC(=O)C1=C(C)Cc2cc(C)c(C)cc21
InChIInChI=1S/C18H21NO2/c1-11-8-15-9-13(3)17(16(15)10-12(11)2)18(21)19-7-5-6-14(4)20/h5-6,8,10H,7,9H2,1-4H3,(H,19,21)/b6-5+
InChIKeyGRGPWNDXXHWIOC-AATRIKPKSA-N
MW283.37 g/mol
LogP2.89
Rot. Bonds4

About 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide

2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide (PubChem CID 159477869) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide
PubChem CID159477869
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide
SMILESCC(=O)/C=C/CNC(=O)C1=C(C)Cc2cc(C)c(C)cc21
InChIInChI=1S/C18H21NO2/c1-11-8-15-9-13(3)17(16(15)10-12(11)2)18(21)19-7-5-6-14(4)20/h5-6,8,10H,7,9H2,1-4H3,(H,19,21)/b6-5+
InChIKeyGRGPWNDXXHWIOC-AATRIKPKSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide 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 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide?
The IUPAC name of 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide (CID 159477869) is 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide is CC(=O)/C=C/CNC(=O)C1=C(C)Cc2cc(C)c(C)cc21.
What is the InChIKey of 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide?
The InChIKey is GRGPWNDXXHWIOC-AATRIKPKSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-8-15-9-13(3)17(16(15)10-12(11)2)18(21)19-7-5-6-14(4)20/h5-6,8,10H,7,9H2,1-4H3,(H,19,21)/b6-5+.
What are the key properties of 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide?
2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-[(E)-4-oxopent-2-enyl]-3H-indene-1-carboxamide is sourced from PubChem (CID 159477869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).