N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide

C19H23NO3 — CID 110213534

IUPACN-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
SMILESCC(C)(C)NC(=O)C1C2CCC3(CC(=O)c4ccccc4O3)C21
InChIInChI=1S/C19H23NO3/c1-18(2,3)20-17(22)15-12-8-9-19(16(12)15)10-13(21)11-6-4-5-7-14(11)23-19/h4-7,12,15-16H,8-10H2,1-3H3,(H,20,22)
InChIKeyDRFOVJDRAKUGIN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.96
Rot. Bonds1

About N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide

N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide (PubChem CID 110213534) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
PubChem CID110213534
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
SMILESCC(C)(C)NC(=O)C1C2CCC3(CC(=O)c4ccccc4O3)C21
InChIInChI=1S/C19H23NO3/c1-18(2,3)20-17(22)15-12-8-9-19(16(12)15)10-13(21)11-6-4-5-7-14(11)23-19/h4-7,12,15-16H,8-10H2,1-3H3,(H,20,22)
InChIKeyDRFOVJDRAKUGIN-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-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 N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The IUPAC name of N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide (CID 110213534) is N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide.
What is the SMILES notation for N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The canonical SMILES for N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide is CC(C)(C)NC(=O)C1C2CCC3(CC(=O)c4ccccc4O3)C21.
What is the InChIKey of N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The InChIKey is DRFOVJDRAKUGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-18(2,3)20-17(22)15-12-8-9-19(16(12)15)10-13(21)11-6-4-5-7-14(11)23-19/h4-7,12,15-16H,8-10H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide is sourced from PubChem (CID 110213534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).