2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one

C20H20N2O — CID 11381163

IUPAC2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
SMILESCN1CC2CN(c3ccc4c(c3)C(=O)c3ccccc3-4)CC2C1
InChIInChI=1S/C20H20N2O/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-17-16-4-2-3-5-18(16)20(23)19(17)8-15/h2-8,13-14H,9-12H2,1H3
InChIKeyBTYHECXMCMQKBV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.90
Rot. Bonds1

About 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one

2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one (PubChem CID 11381163) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one.

Molecular Properties

Compound Name2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
PubChem CID11381163
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
SMILESCN1CC2CN(c3ccc4c(c3)C(=O)c3ccccc3-4)CC2C1
InChIInChI=1S/C20H20N2O/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-17-16-4-2-3-5-18(16)20(23)19(17)8-15/h2-8,13-14H,9-12H2,1H3
InChIKeyBTYHECXMCMQKBV-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The IUPAC name of 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one (CID 11381163) is 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one.
What is the SMILES notation for 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The canonical SMILES for 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one is CN1CC2CN(c3ccc4c(c3)C(=O)c3ccccc3-4)CC2C1.
What is the InChIKey of 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The InChIKey is BTYHECXMCMQKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-17-16-4-2-3-5-18(16)20(23)19(17)8-15/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one has a molecular weight of 304.39 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one is sourced from PubChem (CID 11381163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).