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

C25H28N4O — CID 11338557

IUPAC2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
SMILESO=C1c2cc(N3CC4CNCC4C3)ccc2-c2ccc(N3CC4CNCC4C3)cc21
InChIInChI=1S/C25H28N4O/c30-25-23-5-19(28-11-15-7-26-8-16(15)12-28)1-3-21(23)22-4-2-20(6-24(22)25)29-13-17-9-27-10-18(17)14-29/h1-6,15-18,26-27H,7-14H2
InChIKeyNDNXZGNLCLMMAS-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.21
Rot. Bonds2

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

2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one (PubChem CID 11338557) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
PubChem CID11338557
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
SMILESO=C1c2cc(N3CC4CNCC4C3)ccc2-c2ccc(N3CC4CNCC4C3)cc21
InChIInChI=1S/C25H28N4O/c30-25-23-5-19(28-11-15-7-26-8-16(15)12-28)1-3-21(23)22-4-2-20(6-24(22)25)29-13-17-9-27-10-18(17)14-29/h1-6,15-18,26-27H,7-14H2
InChIKeyNDNXZGNLCLMMAS-UHFFFAOYSA-N
XLogP2.21
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The IUPAC name of 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one (CID 11338557) is 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The canonical SMILES for 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one is O=C1c2cc(N3CC4CNCC4C3)ccc2-c2ccc(N3CC4CNCC4C3)cc21.
What is the InChIKey of 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The InChIKey is NDNXZGNLCLMMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25-23-5-19(28-11-15-7-26-8-16(15)12-28)1-3-21(23)22-4-2-20(6-24(22)25)29-13-17-9-27-10-18(17)14-29/h1-6,15-18,26-27H,7-14H2.
What are the key properties of 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one has a molecular weight of 400.53 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one is sourced from PubChem (CID 11338557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).