carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate

C18H15NO4 — CID 140552483

IUPACcarbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate
SMILESC/C(=C\c1cccc2c1Cc1ccccc1-2)C(=O)OOC(N)=O
InChIInChI=1S/C18H15NO4/c1-11(17(20)22-23-18(19)21)9-12-6-4-8-15-14-7-3-2-5-13(14)10-16(12)15/h2-9H,10H2,1H3,(H2,19,21)/b11-9+
InChIKeyGMUHSBMVFHYAPL-PKNBQFBNSA-N
MW309.32 g/mol
LogP3.21
Rot. Bonds2

About carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate

carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate (PubChem CID 140552483) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate.

Molecular Properties

Compound Namecarbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate
PubChem CID140552483
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namecarbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate
SMILESC/C(=C\c1cccc2c1Cc1ccccc1-2)C(=O)OOC(N)=O
InChIInChI=1S/C18H15NO4/c1-11(17(20)22-23-18(19)21)9-12-6-4-8-15-14-7-3-2-5-13(14)10-16(12)15/h2-9H,10H2,1H3,(H2,19,21)/b11-9+
InChIKeyGMUHSBMVFHYAPL-PKNBQFBNSA-N
XLogP3.21
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
2-(9H-fluoren-1-yl)acetamide
CID 22939017
1,1-bis(9H-fluoren-1-yl)ethyl carbamate
CID 151505188
9H-fluorene-1-carboxamide
CID 18474131
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
N-(9H-fluoren-1-yl)-1-phenylethanimine
CID 143688268
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline
CID 70405574
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
2-(9H-fluoren-1-yl)ethenyl hypofluorite
CID 172862846
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584

Frequently Asked Questions

What is the IUPAC name of carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate?
The IUPAC name of carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate (CID 140552483) is carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate.
What is the SMILES notation for carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate?
The canonical SMILES for carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate is C/C(=C\c1cccc2c1Cc1ccccc1-2)C(=O)OOC(N)=O.
What is the InChIKey of carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate?
The InChIKey is GMUHSBMVFHYAPL-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11(17(20)22-23-18(19)21)9-12-6-4-8-15-14-7-3-2-5-13(14)10-16(12)15/h2-9H,10H2,1H3,(H2,19,21)/b11-9+.
What are the key properties of carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate?
carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate has a molecular weight of 309.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate is sourced from PubChem (CID 140552483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).