(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]

C13H17N — CID 86311934

IUPAC(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
SMILESc1ccc2c(c1)CCC[C@@]21CCNC1
InChIInChI=1S/C13H17N/c1-2-6-12-11(4-1)5-3-7-13(12)8-9-14-10-13/h1-2,4,6,14H,3,5,7-10H2/t13-/m0/s1
InChIKeyQAQOIXBLPQERTB-ZDUSSCGKSA-N
MW187.29 g/mol
LogP2.25
Rot. Bonds

About (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]

(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] (PubChem CID 86311934) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine].

Molecular Properties

Compound Name(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
PubChem CID86311934
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
SMILESc1ccc2c(c1)CCC[C@@]21CCNC1
InChIInChI=1S/C13H17N/c1-2-6-12-11(4-1)5-3-7-13(12)8-9-14-10-13/h1-2,4,6,14H,3,5,7-10H2/t13-/m0/s1
InChIKeyQAQOIXBLPQERTB-ZDUSSCGKSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 129384980
spiro[7,8-dihydro-6H-naphthalene-5,3'-pyrrolidine]-2-ol;hydrobromide
CID 12630010
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 92849621
ethane;spiro[1,2-dihydroindene-3,3'-azetidine]
CID 155704532
7-azaspiro[4.5]decane;8-azaspiro[4.5]decane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;2-azaspiro[5.5]undecane;3-azaspiro[5.5]undecane;propane;spiro[1,2-dihydroindene-3,4'-piperidine];bis(spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine])
CID 162091148
propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1H-naphthalene]
CID 56653224
spiro[5,6-dihydro-4H-1-benzofuran-7,3'-pyrrolidine]
CID 83906212
spiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 59233929
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368

Frequently Asked Questions

What is the IUPAC name of (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The IUPAC name of (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] (CID 86311934) is (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine].
What is the SMILES notation for (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The canonical SMILES for (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] is c1ccc2c(c1)CCC[C@@]21CCNC1.
What is the InChIKey of (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The InChIKey is QAQOIXBLPQERTB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N/c1-2-6-12-11(4-1)5-3-7-13(12)8-9-14-10-13/h1-2,4,6,14H,3,5,7-10H2/t13-/m0/s1.
What are the key properties of (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] has a molecular weight of 187.29 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] is sourced from PubChem (CID 86311934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).