8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

C26H36N2O4 — CID 10765574

IUPAC8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1cccc2c1C[C@]1(CCCN1CCCCN1C(=O)CC3(CCCC3)CC1=O)CO2
InChIInChI=1S/C26H36N2O4/c1-31-21-8-6-9-22-20(21)16-26(19-32-22)12-7-14-27(26)13-4-5-15-28-23(29)17-25(18-24(28)30)10-2-3-11-25/h6,8-9H,2-5,7,10-19H2,1H3/t26-/m1/s1
InChIKeyXVCOCVUIJOUBOY-AREMUKBSSA-N
MW440.58 g/mol
LogP3.95
Rot. Bonds6

About 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10765574) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10765574
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1cccc2c1C[C@]1(CCCN1CCCCN1C(=O)CC3(CCCC3)CC1=O)CO2
InChIInChI=1S/C26H36N2O4/c1-31-21-8-6-9-22-20(21)16-26(19-32-22)12-7-14-27(26)13-4-5-15-28-23(29)17-25(18-24(28)30)10-2-3-11-25/h6,8-9H,2-5,7,10-19H2,1H3/t26-/m1/s1
InChIKeyXVCOCVUIJOUBOY-AREMUKBSSA-N
XLogP3.95
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine
CID 10542565
8-[4-[(3aS,9bR)-9-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 18646950
2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18966575
8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
CID 15662368
1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione
CID 10339395
(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
CID 10798912
8-[4-(4-methoxyphenyl)sulfanylbutyl]-8-azaspiro[4.5]decane-7,9-dione
CID 139959026
8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 14836184
(5-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722413
8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 45265113
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 139959182

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10765574) is 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is COc1cccc2c1C[C@]1(CCCN1CCCCN1C(=O)CC3(CCCC3)CC1=O)CO2.
What is the InChIKey of 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is XVCOCVUIJOUBOY-AREMUKBSSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-31-21-8-6-9-22-20(21)16-26(19-32-22)12-7-14-27(26)13-4-5-15-28-23(29)17-25(18-24(28)30)10-2-3-11-25/h6,8-9H,2-5,7,10-19H2,1H3/t26-/m1/s1.
What are the key properties of 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 440.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10765574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).