(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C13H14ClNO2 — CID 128969666

IUPAC(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCNC(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12
InChIInChI=1S/C13H14ClNO2/c1-15-12(16)10-7-13(10)4-5-17-11-3-2-8(14)6-9(11)13/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)/t10-,13-/m0/s1
InChIKeyGRFJOSZCUFEJGY-GWCFXTLKSA-N
MW251.71 g/mol
LogP2.13
Rot. Bonds1

About (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 128969666) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID128969666
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCNC(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12
InChIInChI=1S/C13H14ClNO2/c1-15-12(16)10-7-13(10)4-5-17-11-3-2-8(14)6-9(11)13/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)/t10-,13-/m0/s1
InChIKeyGRFJOSZCUFEJGY-GWCFXTLKSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-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 (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 128969666) is (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is CNC(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12.
What is the InChIKey of (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is GRFJOSZCUFEJGY-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-15-12(16)10-7-13(10)4-5-17-11-3-2-8(14)6-9(11)13/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)/t10-,13-/m0/s1.
What are the key properties of (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 251.71 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 128969666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).