N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide

C15H17NO3 — CID 717930

IUPACN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC1
InChIInChI=1S/C15H17NO3/c17-14(10-3-4-10)16-11-5-6-12-13(9-11)19-15(18-12)7-1-2-8-15/h5-6,9-10H,1-4,7-8H2,(H,16,17)
InChIKeyUQECRXABDQQQBQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.08
Rot. Bonds2

About N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide

N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide (PubChem CID 717930) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide
PubChem CID717930
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC1
InChIInChI=1S/C15H17NO3/c17-14(10-3-4-10)16-11-5-6-12-13(9-11)19-15(18-12)7-1-2-8-15/h5-6,9-10H,1-4,7-8H2,(H,16,17)
InChIKeyUQECRXABDQQQBQ-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide 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-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide?
The IUPAC name of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide (CID 717930) is N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide.
What is the SMILES notation for N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide?
The canonical SMILES for N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC1.
What is the InChIKey of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide?
The InChIKey is UQECRXABDQQQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(10-3-4-10)16-11-5-6-12-13(9-11)19-15(18-12)7-1-2-8-15/h5-6,9-10H,1-4,7-8H2,(H,16,17).
What are the key properties of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide?
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide has a molecular weight of 259.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropanecarboxamide is sourced from PubChem (CID 717930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).