2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one

C27H32N4O — CID 11177859

IUPAC2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
SMILESCN1CC2CN(c3ccc4c(c3)C(=O)c3cc(N5CC6CN(C)CC6C5)ccc3-4)CC2C1
InChIInChI=1S/C27H32N4O/c1-28-9-17-13-30(14-18(17)10-28)21-3-5-23-24-6-4-22(8-26(24)27(32)25(23)7-21)31-15-19-11-29(2)12-20(19)16-31/h3-8,17-20H,9-16H2,1-2H3
InChIKeyPRVQUHCHLVLICX-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.89
Rot. Bonds2

About 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one

2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one (PubChem CID 11177859) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
PubChem CID11177859
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
SMILESCN1CC2CN(c3ccc4c(c3)C(=O)c3cc(N5CC6CN(C)CC6C5)ccc3-4)CC2C1
InChIInChI=1S/C27H32N4O/c1-28-9-17-13-30(14-18(17)10-28)21-3-5-23-24-6-4-22(8-26(24)27(32)25(23)7-21)31-15-19-11-29(2)12-20(19)16-31/h3-8,17-20H,9-16H2,1-2H3
InChIKeyPRVQUHCHLVLICX-UHFFFAOYSA-N
XLogP2.89
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The IUPAC name of 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one (CID 11177859) is 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The canonical SMILES for 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one is CN1CC2CN(c3ccc4c(c3)C(=O)c3cc(N5CC6CN(C)CC6C5)ccc3-4)CC2C1.
What is the InChIKey of 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The InChIKey is PRVQUHCHLVLICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-28-9-17-13-30(14-18(17)10-28)21-3-5-23-24-6-4-22(8-26(24)27(32)25(23)7-21)31-15-19-11-29(2)12-20(19)16-31/h3-8,17-20H,9-16H2,1-2H3.
What are the key properties of 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one has a molecular weight of 428.58 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one is sourced from PubChem (CID 11177859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).