(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]

C13H17NO2 — CID 10798912

IUPAC(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
SMILESCOc1cccc2c1C[C@@]1(CCCN1)CO2
InChIInChI=1S/C13H17NO2/c1-15-11-4-2-5-12-10(11)8-13(9-16-12)6-3-7-14-13/h2,4-5,14H,3,6-9H2,1H3/t13-/m0/s1
InChIKeyKUXGHNDAHPGZBD-ZDUSSCGKSA-N
MW219.28 g/mol
LogP1.75
Rot. Bonds1

About (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]

(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] (PubChem CID 10798912) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine].

Molecular Properties

Compound Name(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
PubChem CID10798912
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
SMILESCOc1cccc2c1C[C@@]1(CCCN1)CO2
InChIInChI=1S/C13H17NO2/c1-15-11-4-2-5-12-10(11)8-13(9-16-12)6-3-7-14-13/h2,4-5,14H,3,6-9H2,1H3/t13-/m0/s1
InChIKeyKUXGHNDAHPGZBD-ZDUSSCGKSA-N
XLogP1.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] with MolForge

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Related Compounds

5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 19028933
(5-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722413
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine
CID 10542565
8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 10765574
8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol
CID 139840836
6-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 114765120
(5E)-8-methoxy-2,3,4,7-tetrahydro-1-benzoxonine
CID 10560122
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 57001121
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The IUPAC name of (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] (CID 10798912) is (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine].
What is the SMILES notation for (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The canonical SMILES for (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] is COc1cccc2c1C[C@@]1(CCCN1)CO2.
What is the InChIKey of (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The InChIKey is KUXGHNDAHPGZBD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-11-4-2-5-12-10(11)8-13(9-16-12)6-3-7-14-13/h2,4-5,14H,3,6-9H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] has a molecular weight of 219.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] is sourced from PubChem (CID 10798912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).