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

C19H18N2O — CID 67163039

IUPAC2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
SMILESCN1C[C@@H]2CN(c3ccc4c(c3)C(=O)c3ccccc3-4)C[C@@H]21
InChIInChI=1S/C19H18N2O/c1-20-9-12-10-21(11-18(12)20)13-6-7-15-14-4-2-3-5-16(14)19(22)17(15)8-13/h2-8,12,18H,9-11H2,1H3/t12-,18+/m1/s1
InChIKeyUHPGVQUSCBWVSI-XIKOKIGWSA-N
MW290.37 g/mol
LogP2.65
Rot. Bonds1

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

2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one (PubChem CID 67163039) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one.

Molecular Properties

Compound Name2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
PubChem CID67163039
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
SMILESCN1C[C@@H]2CN(c3ccc4c(c3)C(=O)c3ccccc3-4)C[C@@H]21
InChIInChI=1S/C19H18N2O/c1-20-9-12-10-21(11-18(12)20)13-6-7-15-14-4-2-3-5-16(14)19(22)17(15)8-13/h2-8,12,18H,9-11H2,1H3/t12-,18+/m1/s1
InChIKeyUHPGVQUSCBWVSI-XIKOKIGWSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The IUPAC name of 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one (CID 67163039) is 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one.
What is the SMILES notation for 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The canonical SMILES for 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one is CN1C[C@@H]2CN(c3ccc4c(c3)C(=O)c3ccccc3-4)C[C@@H]21.
What is the InChIKey of 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The InChIKey is UHPGVQUSCBWVSI-XIKOKIGWSA-N. The full InChI is InChI=1S/C19H18N2O/c1-20-9-12-10-21(11-18(12)20)13-6-7-15-14-4-2-3-5-16(14)19(22)17(15)8-13/h2-8,12,18H,9-11H2,1H3/t12-,18+/m1/s1.
What are the key properties of 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one has a molecular weight of 290.37 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one is sourced from PubChem (CID 67163039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).