(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]

C14H19NO — CID 92849621

IUPAC(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
SMILESCOc1ccc2c(c1)CCC[C@]21CCNC1
InChIInChI=1S/C14H19NO/c1-16-12-4-5-13-11(9-12)3-2-6-14(13)7-8-15-10-14/h4-5,9,15H,2-3,6-8,10H2,1H3/t14-/m1/s1
InChIKeyRXEVEFQGXDSIHV-CQSZACIVSA-N
MW217.31 g/mol
LogP2.26
Rot. Bonds1

About (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]

(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] (PubChem CID 92849621) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine].

Molecular Properties

Compound Name(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
PubChem CID92849621
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
SMILESCOc1ccc2c(c1)CCC[C@]21CCNC1
InChIInChI=1S/C14H19NO/c1-16-12-4-5-13-11(9-12)3-2-6-14(13)7-8-15-10-14/h4-5,9,15H,2-3,6-8,10H2,1H3/t14-/m1/s1
InChIKeyRXEVEFQGXDSIHV-CQSZACIVSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
(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
(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 86311934
5-iodo-8-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 67206648
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060
7-methoxy-9-methylspiro[3,4-dihydro-2H-1-benzothiepine-5,3'-pyrrolidine]
CID 82624585
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The IUPAC name of (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] (CID 92849621) is (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine].
What is the SMILES notation for (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The canonical SMILES for (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] is COc1ccc2c(c1)CCC[C@]21CCNC1.
What is the InChIKey of (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
The InChIKey is RXEVEFQGXDSIHV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-12-4-5-13-11(9-12)3-2-6-14(13)7-8-15-10-14/h4-5,9,15H,2-3,6-8,10H2,1H3/t14-/m1/s1.
What are the key properties of (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]?
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] has a molecular weight of 217.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine] is sourced from PubChem (CID 92849621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).