(1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

C12H12ClNO — CID 170693906

IUPAC(1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESNC(=O)[C@H]1C[C@@]12CCc1ccc(Cl)cc12
InChIInChI=1S/C12H12ClNO/c13-8-2-1-7-3-4-12(9(7)5-8)6-10(12)11(14)15/h1-2,5,10H,3-4,6H2,(H2,14,15)/t10-,12-/m1/s1
InChIKeyAFWHHHLEBDYHNQ-ZYHUDNBSSA-N
MW221.69 g/mol
LogP2.03
Rot. Bonds1

About (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

(1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 170693906) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
PubChem CID170693906
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name(1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESNC(=O)[C@H]1C[C@@]12CCc1ccc(Cl)cc12
InChIInChI=1S/C12H12ClNO/c13-8-2-1-7-3-4-12(9(7)5-8)6-10(12)11(14)15/h1-2,5,10H,3-4,6H2,(H2,14,15)/t10-,12-/m1/s1
InChIKeyAFWHHHLEBDYHNQ-ZYHUDNBSSA-N
XLogP2.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (CID 170693906) is (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is NC(=O)[C@H]1C[C@@]12CCc1ccc(Cl)cc12.
What is the InChIKey of (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is AFWHHHLEBDYHNQ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-8-2-1-7-3-4-12(9(7)5-8)6-10(12)11(14)15/h1-2,5,10H,3-4,6H2,(H2,14,15)/t10-,12-/m1/s1.
What are the key properties of (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
(1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 221.69 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 170693906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).