2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one

C16H20N4O2 — CID 22414883

IUPAC2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one
SMILESCc1cc2c(c3c1NC(=O)C3(C)C)OC(C)(CN=[N+]=[N-])C2C
InChIInChI=1S/C16H20N4O2/c1-8-6-10-9(2)16(5,7-18-20-17)22-13(10)11-12(8)19-14(21)15(11,3)4/h6,9H,7H2,1-5H3,(H,19,21)
InChIKeyMHJQQKNFQPRVFA-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.79
Rot. Bonds2

About 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one

2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one (PubChem CID 22414883) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one.

Molecular Properties

Compound Name2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one
PubChem CID22414883
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one
SMILESCc1cc2c(c3c1NC(=O)C3(C)C)OC(C)(CN=[N+]=[N-])C2C
InChIInChI=1S/C16H20N4O2/c1-8-6-10-9(2)16(5,7-18-20-17)22-13(10)11-12(8)19-14(21)15(11,3)4/h6,9H,7H2,1-5H3,(H,19,21)
InChIKeyMHJQQKNFQPRVFA-UHFFFAOYSA-N
XLogP3.79
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-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-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one?
The IUPAC name of 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one (CID 22414883) is 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one.
What is the SMILES notation for 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one?
The canonical SMILES for 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one is Cc1cc2c(c3c1NC(=O)C3(C)C)OC(C)(CN=[N+]=[N-])C2C.
What is the InChIKey of 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one?
The InChIKey is MHJQQKNFQPRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-8-6-10-9(2)16(5,7-18-20-17)22-13(10)11-12(8)19-14(21)15(11,3)4/h6,9H,7H2,1-5H3,(H,19,21).
What are the key properties of 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one?
2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one has a molecular weight of 300.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one is sourced from PubChem (CID 22414883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).