9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate

C21H18N2O4 — CID 10904539

IUPAC9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
SMILESO=C(NCCN1C(=O)C=CC1=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H18N2O4/c24-19-9-10-20(25)23(19)12-11-22-21(26)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18H,11-13H2,(H,22,26)
InChIKeyGMHGOBRTFNIQBW-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.45
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate (PubChem CID 10904539) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
PubChem CID10904539
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
SMILESO=C(NCCN1C(=O)C=CC1=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H18N2O4/c24-19-9-10-20(25)23(19)12-11-22-21(26)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18H,11-13H2,(H,22,26)
InChIKeyGMHGOBRTFNIQBW-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate
CID 25188524
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887620
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 90731632
(3R,4R)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 162454126

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate (CID 10904539) is 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate is O=C(NCCN1C(=O)C=CC1=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate?
The InChIKey is GMHGOBRTFNIQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-19-9-10-20(25)23(19)12-11-22-21(26)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18H,11-13H2,(H,22,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate has a molecular weight of 362.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate is sourced from PubChem (CID 10904539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).