2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one

C23H26N2O3 — CID 57399774

IUPAC2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one
SMILESCN1CC[C@@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@H]3CCN3C)ccc1-2
InChIInChI=1S/C23H26N2O3/c1-24-9-7-15(24)13-27-17-3-5-19-20-6-4-18(28-14-16-8-10-25(16)2)12-22(20)23(26)21(19)11-17/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyKYXIAASXCBFCEC-HZPDHXFCSA-N
MW378.47 g/mol
LogP3.06
Rot. Bonds6

About 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one

2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one (PubChem CID 57399774) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one
PubChem CID57399774
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one
SMILESCN1CC[C@@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@H]3CCN3C)ccc1-2
InChIInChI=1S/C23H26N2O3/c1-24-9-7-15(24)13-27-17-3-5-19-20-6-4-18(28-14-16-8-10-25(16)2)12-22(20)23(26)21(19)11-17/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyKYXIAASXCBFCEC-HZPDHXFCSA-N
XLogP3.06
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one (CID 57399774) is 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one is CN1CC[C@@H]1COc1ccc2c(c1)C(=O)c1cc(OC[C@H]3CCN3C)ccc1-2.
What is the InChIKey of 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one?
The InChIKey is KYXIAASXCBFCEC-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-24-9-7-15(24)13-27-17-3-5-19-20-6-4-18(28-14-16-8-10-25(16)2)12-22(20)23(26)21(19)11-17/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one?
2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one has a molecular weight of 378.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[(2R)-1-methylazetidin-2-yl]methoxy]fluoren-9-one is sourced from PubChem (CID 57399774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).