9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate

C26H20N2O5 — CID 169470369

About 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate (PubChem CID 169470369) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate
• PubChem CID: 169470369
• Molecular Formula: C26H20N2O5
• Molecular Weight: 440.46 g/mol
• Exact Mass: 440.14
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate
• SMILES: O=C(NCC=Cc1ccc2[nH]c(=O)oc(=O)c2c1)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C26H20N2O5/c29-24-21-14-16(11-12-23(21)28-26(31)33-24)6-5-13-27-25(30)32-15-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-12,14,22H,13,15H2,(H,27,30)(H,28,31)
• InChIKey: BYIVJSAQKJOJQR-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 101.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.46
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate (CID 169470369) is 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc2[nH]c(=O)oc(=O)c2c1)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate?

The InChIKey is BYIVJSAQKJOJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c29-24-21-14-16(11-12-23(21)28-26(31)33-24)6-5-13-27-25(30)32-15-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-12,14,22H,13,15H2,(H,27,30)(H,28,31).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate has a molecular weight of 440.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).