9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate

C18H15NO3 — CID 171525727

IUPAC9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
SMILESO=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C18H15NO3/c20-12-9-19(10-12)18(21)22-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-11H2
InChIKeyUJNAONXUENPDAM-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.82
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate

9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate (PubChem CID 171525727) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
PubChem CID171525727
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
SMILESO=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C18H15NO3/c20-12-9-19(10-12)18(21)22-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-11H2
InChIKeyUJNAONXUENPDAM-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate (CID 171525727) is 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate is O=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate?
The InChIKey is UJNAONXUENPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-12-9-19(10-12)18(21)22-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-11H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate?
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate is sourced from PubChem (CID 171525727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).