(10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione

C15H20N2O3 — CID 162888969

IUPAC(10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione
SMILESCC1(C)C(=O)C2=C(NC(=O)N3CCC[C@H]23)C(C)(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-14(2)10-9(11(18)15(3,4)12(14)19)8-6-5-7-17(8)13(20)16-10/h8H,5-7H2,1-4H3,(H,16,20)/t8-/m1/s1
InChIKeyMAZXYFMVLOYDAE-MRVPVSSYSA-N
MW276.34 g/mol
LogP1.63
Rot. Bonds

About (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione

(10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione (PubChem CID 162888969) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione.

Molecular Properties

Compound Name(10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione
PubChem CID162888969
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione
SMILESCC1(C)C(=O)C2=C(NC(=O)N3CCC[C@H]23)C(C)(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-14(2)10-9(11(18)15(3,4)12(14)19)8-6-5-7-17(8)13(20)16-10/h8H,5-7H2,1-4H3,(H,16,20)/t8-/m1/s1
InChIKeyMAZXYFMVLOYDAE-MRVPVSSYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(8aS)-3,3-dimethyl-4-sulfanylidene-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
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3-methyl-2-(2,2,3,3-tetramethylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932570
(1S,7aS)-1-methyl-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
CID 176916786
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CID 11615879
3-ethyl-2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944865
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CID 119033802
(3S,9S,12S,15R)-3,6,6,9,12-pentamethyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
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(3R,6S,9S,15R,18S,21S)-3,15-dimethyl-6,18-bis(2-methylpropyl)-1,4,7,13,16,19-hexazatricyclo[19.3.0.09,13]tetracosane-2,5,8,14,17,20-hexone
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CID 134992842

Frequently Asked Questions

What is the IUPAC name of (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione?
The IUPAC name of (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione (CID 162888969) is (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione.
What is the SMILES notation for (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione?
The canonical SMILES for (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione is CC1(C)C(=O)C2=C(NC(=O)N3CCC[C@H]23)C(C)(C)C1=O.
What is the InChIKey of (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione?
The InChIKey is MAZXYFMVLOYDAE-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14(2)10-9(11(18)15(3,4)12(14)19)8-6-5-7-17(8)13(20)16-10/h8H,5-7H2,1-4H3,(H,16,20)/t8-/m1/s1.
What are the key properties of (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione?
(10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione has a molecular weight of 276.34 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione is sourced from PubChem (CID 162888969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).