N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide

C20H18N2O3 — CID 42280319

IUPACN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H18N2O3/c23-19(16-11-13-5-1-2-6-15(13)22-16)21-14-7-8-17-18(12-14)25-20(24-17)9-3-4-10-20/h1-2,5-8,11-12,22H,3-4,9-10H2,(H,21,23)
InChIKeyMUAQHXUXMGSMGJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.46
Rot. Bonds2

About N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide

N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide (PubChem CID 42280319) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
PubChem CID42280319
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H18N2O3/c23-19(16-11-13-5-1-2-6-15(13)22-16)21-14-7-8-17-18(12-14)25-20(24-17)9-3-4-10-20/h1-2,5-8,11-12,22H,3-4,9-10H2,(H,21,23)
InChIKeyMUAQHXUXMGSMGJ-UHFFFAOYSA-N
XLogP4.46
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide?
The IUPAC name of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide (CID 42280319) is N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2ccccc2[nH]1.
What is the InChIKey of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide?
The InChIKey is MUAQHXUXMGSMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(16-11-13-5-1-2-6-15(13)22-16)21-14-7-8-17-18(12-14)25-20(24-17)9-3-4-10-20/h1-2,5-8,11-12,22H,3-4,9-10H2,(H,21,23).
What are the key properties of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide?
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 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-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 42280319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).