1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide

C18H21BrN2O2 — CID 136539967

IUPAC1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)C2CC23CCc2cc(Br)ccc23)C1
InChIInChI=1S/C18H21BrN2O2/c1-17(16(20)23)6-7-21(10-17)15(22)14-9-18(14)5-4-11-8-12(19)2-3-13(11)18/h2-3,8,14H,4-7,9-10H2,1H3,(H2,20,23)
InChIKeyOUDHYNLLTYTGRA-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.38
Rot. Bonds2

About 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide

1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 136539967) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID136539967
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)C2CC23CCc2cc(Br)ccc23)C1
InChIInChI=1S/C18H21BrN2O2/c1-17(16(20)23)6-7-21(10-17)15(22)14-9-18(14)5-4-11-8-12(19)2-3-13(11)18/h2-3,8,14H,4-7,9-10H2,1H3,(H2,20,23)
InChIKeyOUDHYNLLTYTGRA-UHFFFAOYSA-N
XLogP2.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide (CID 136539967) is 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(C(=O)C2CC23CCc2cc(Br)ccc23)C1.
What is the InChIKey of 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is OUDHYNLLTYTGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-17(16(20)23)6-7-21(10-17)15(22)14-9-18(14)5-4-11-8-12(19)2-3-13(11)18/h2-3,8,14H,4-7,9-10H2,1H3,(H2,20,23).
What are the key properties of 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide?
1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 377.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136539967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).