1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone

C20H19N3O5 — CID 102218625

IUPAC1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone
SMILESCN1C(=O)N(C)C(=O)C2(Cc3c(c4ccccc4oc3=O)N3CCCC32)C1=O
InChIInChI=1S/C20H19N3O5/c1-21-17(25)20(18(26)22(2)19(21)27)10-12-15(23-9-5-8-14(20)23)11-6-3-4-7-13(11)28-16(12)24/h3-4,6-7,14H,5,8-10H2,1-2H3
InChIKeyJXMNHARIXKURGC-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.35
Rot. Bonds

About 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone

1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone (PubChem CID 102218625) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone.

Molecular Properties

Compound Name1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone
PubChem CID102218625
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone
SMILESCN1C(=O)N(C)C(=O)C2(Cc3c(c4ccccc4oc3=O)N3CCCC32)C1=O
InChIInChI=1S/C20H19N3O5/c1-21-17(25)20(18(26)22(2)19(21)27)10-12-15(23-9-5-8-14(20)23)11-6-3-4-7-13(11)28-16(12)24/h3-4,6-7,14H,5,8-10H2,1-2H3
InChIKeyJXMNHARIXKURGC-UHFFFAOYSA-N
XLogP1.35
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(6'aR)-1'-fluoro-1,3-dimethylspiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione
CID 7679176
1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone
CID 102218617
(3'aS)-6'-chloro-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-7'-carbaldehyde
CID 7641355
6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
CID 4909642
(3'aS)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-7'-carbaldehyde
CID 41025454
(3'aS)-7'-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
CID 40986152
N-[(3'aS)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-7'-yl]propanamide
CID 7643385
(4aR,5R)-10-fluoro-1'-methylspiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
CID 92823765
7'-[(1,3-diethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione;dihydrochloride
CID 44666286
1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one
CID 46935908
7'-[(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
CID 4895336
(3'aR)-1,3-dimethyl-7'-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
CID 41029547

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone?
The IUPAC name of 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone (CID 102218625) is 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone.
What is the SMILES notation for 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone?
The canonical SMILES for 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone is CN1C(=O)N(C)C(=O)C2(Cc3c(c4ccccc4oc3=O)N3CCCC32)C1=O.
What is the InChIKey of 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone?
The InChIKey is JXMNHARIXKURGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-21-17(25)20(18(26)22(2)19(21)27)10-12-15(23-9-5-8-14(20)23)11-6-3-4-7-13(11)28-16(12)24/h3-4,6-7,14H,5,8-10H2,1-2H3.
What are the key properties of 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone?
1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone has a molecular weight of 381.39 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone is sourced from PubChem (CID 102218625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).