9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate

C18H17NO3 — CID 23532546

IUPAC9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate
SMILESCC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO3/c1-12(20)10-19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-11H2,1H3,(H,19,21)
InChIKeyNXLPJVPQEOXTCY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.11
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate

9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate (PubChem CID 23532546) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate
PubChem CID23532546
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate
SMILESCC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO3/c1-12(20)10-19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-11H2,1H3,(H,19,21)
InChIKeyNXLPJVPQEOXTCY-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate (CID 23532546) is 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate is CC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate?
The InChIKey is NXLPJVPQEOXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(20)10-19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-11H2,1H3,(H,19,21).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate has a molecular weight of 295.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-oxopropyl)carbamate is sourced from PubChem (CID 23532546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).