[(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate

C19H20N2O4 — CID 90711784

IUPAC[(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)O[C@@H]1CCC=CCCC1
InChIInChI=1S/C19H20N2O4/c22-17-12-13-18(23)21(17)15-10-8-14(9-11-15)20-19(24)25-16-6-4-2-1-3-5-7-16/h1-2,8-13,16H,3-7H2,(H,20,24)/t16-/m1/s1
InChIKeyICKCMAUZFBAEHX-MRXNPFEDSA-N
MW340.38 g/mol
LogP3.55
Rot. Bonds3

About [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate

[(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate (PubChem CID 90711784) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name[(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate
PubChem CID90711784
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)O[C@@H]1CCC=CCCC1
InChIInChI=1S/C19H20N2O4/c22-17-12-13-18(23)21(17)15-10-8-14(9-11-15)20-19(24)25-16-6-4-2-1-3-5-7-16/h1-2,8-13,16H,3-7H2,(H,20,24)/t16-/m1/s1
InChIKeyICKCMAUZFBAEHX-MRXNPFEDSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-methylcyclooct-4-en-1-yl) N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate
CID 76563578
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
cyclobutyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516961
cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate
CID 90710466
tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
CID 160957196
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 169491085
[3-[2,3-bis[[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamoyloxy]propoxy]-2-[[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamoyloxy]propyl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate
CID 122383114
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930

Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate?
The IUPAC name of [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate (CID 90711784) is [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate.
What is the SMILES notation for [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate?
The canonical SMILES for [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate is O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)O[C@@H]1CCC=CCCC1.
What is the InChIKey of [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate?
The InChIKey is ICKCMAUZFBAEHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17-12-13-18(23)21(17)15-10-8-14(9-11-15)20-19(24)25-16-6-4-2-1-3-5-7-16/h1-2,8-13,16H,3-7H2,(H,20,24)/t16-/m1/s1.
What are the key properties of [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate?
[(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate has a molecular weight of 340.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate is sourced from PubChem (CID 90711784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).