(3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one

C15H24N2O2 — CID 131691906

IUPAC(3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one
SMILESCC1CCC(C(=O)N2C[C@H]3CN(C)C(=O)[C@H]3C2)CC1
InChIInChI=1S/C15H24N2O2/c1-10-3-5-11(6-4-10)14(18)17-8-12-7-16(2)15(19)13(12)9-17/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13+/m1/s1
InChIKeyFZQPRMLPUPJRTB-TUUUFIMRSA-N
MW264.37 g/mol
LogP1.36
Rot. Bonds1

About (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one

(3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one (PubChem CID 131691906) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name(3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one
PubChem CID131691906
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one
SMILESCC1CCC(C(=O)N2C[C@H]3CN(C)C(=O)[C@H]3C2)CC1
InChIInChI=1S/C15H24N2O2/c1-10-3-5-11(6-4-10)14(18)17-8-12-7-16(2)15(19)13(12)9-17/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13+/m1/s1
InChIKeyFZQPRMLPUPJRTB-TUUUFIMRSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one with MolForge

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Related Compounds

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(4-methylcyclohexyl)-(10-pyrrolidin-1-yl-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone
CID 131685019
(4-methylcyclohexyl)-(11-pyrrolidin-1-yl-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-yl)methanone
CID 131690528
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CID 95933340
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CID 97376764
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
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(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185224
[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one?
The IUPAC name of (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one (CID 131691906) is (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one.
What is the SMILES notation for (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one?
The canonical SMILES for (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one is CC1CCC(C(=O)N2C[C@H]3CN(C)C(=O)[C@H]3C2)CC1.
What is the InChIKey of (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one?
The InChIKey is FZQPRMLPUPJRTB-TUUUFIMRSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-3-5-11(6-4-10)14(18)17-8-12-7-16(2)15(19)13(12)9-17/h10-13H,3-9H2,1-2H3/t10?,11?,12-,13+/m1/s1.
What are the key properties of (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one?
(3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one has a molecular weight of 264.37 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 131691906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).