(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

C13H18N2O — CID 104946242

IUPAC(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCN1CCC2(C[C@@H](N)c3ccccc3O2)C1
InChIInChI=1S/C13H18N2O/c1-15-7-6-13(9-15)8-11(14)10-4-2-3-5-12(10)16-13/h2-5,11H,6-9,14H2,1H3/t11-,13?/m1/s1
InChIKeyHRGAAKUUPPKBDT-JTDNENJMSA-N
MW218.30 g/mol
LogP1.54
Rot. Bonds

About (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine

(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (PubChem CID 104946242) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.

Molecular Properties

Compound Name(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
PubChem CID104946242
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
SMILESCN1CCC2(C[C@@H](N)c3ccccc3O2)C1
InChIInChI=1S/C13H18N2O/c1-15-7-6-13(9-15)8-11(14)10-4-2-3-5-12(10)16-13/h2-5,11H,6-9,14H2,1H3/t11-,13?/m1/s1
InChIKeyHRGAAKUUPPKBDT-JTDNENJMSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The IUPAC name of (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine (CID 104946242) is (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine.
What is the SMILES notation for (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The canonical SMILES for (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is CN1CCC2(C[C@@H](N)c3ccccc3O2)C1.
What is the InChIKey of (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
The InChIKey is HRGAAKUUPPKBDT-JTDNENJMSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-7-6-13(9-15)8-11(14)10-4-2-3-5-12(10)16-13/h2-5,11H,6-9,14H2,1H3/t11-,13?/m1/s1.
What are the key properties of (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine?
(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine has a molecular weight of 218.30 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine is sourced from PubChem (CID 104946242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).