2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one

C25H28N4O — CID 57399775

IUPAC2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
SMILESCN1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6CN(C)[C@@H]6C5)ccc3-4)C[C@H]21
InChIInChI=1S/C25H28N4O/c1-26-9-15-11-28(13-23(15)26)17-3-5-19-20-6-4-18(8-22(20)25(30)21(19)7-17)29-12-16-10-27(2)24(16)14-29/h3-8,15-16,23-24H,9-14H2,1-2H3/t15-,16-,23+,24+/m0/s1
InChIKeyREZGXCQOMYFEFV-QBGYIRFESA-N
MW400.53 g/mol
LogP2.40
Rot. Bonds2

About 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one

2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one (PubChem CID 57399775) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
PubChem CID57399775
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
SMILESCN1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6CN(C)[C@@H]6C5)ccc3-4)C[C@H]21
InChIInChI=1S/C25H28N4O/c1-26-9-15-11-28(13-23(15)26)17-3-5-19-20-6-4-18(8-22(20)25(30)21(19)7-17)29-12-16-10-27(2)24(16)14-29/h3-8,15-16,23-24H,9-14H2,1-2H3/t15-,16-,23+,24+/m0/s1
InChIKeyREZGXCQOMYFEFV-QBGYIRFESA-N
XLogP2.40
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The IUPAC name of 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one (CID 57399775) is 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The canonical SMILES for 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one is CN1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6CN(C)[C@@H]6C5)ccc3-4)C[C@H]21.
What is the InChIKey of 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The InChIKey is REZGXCQOMYFEFV-QBGYIRFESA-N. The full InChI is InChI=1S/C25H28N4O/c1-26-9-15-11-28(13-23(15)26)17-3-5-19-20-6-4-18(8-22(20)25(30)21(19)7-17)29-12-16-10-27(2)24(16)14-29/h3-8,15-16,23-24H,9-14H2,1-2H3/t15-,16-,23+,24+/m0/s1.
What are the key properties of 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one has a molecular weight of 400.53 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one is sourced from PubChem (CID 57399775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).