[(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate

C10H16N2O5 — CID 144632180

IUPAC[(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate
SMILESNC(=O)OC1/C=C\C(OC(N)=O)CC(O)CC1
InChIInChI=1S/C10H16N2O5/c11-9(14)16-7-2-1-6(13)5-8(4-3-7)17-10(12)15/h3-4,6-8,13H,1-2,5H2,(H2,11,14)(H2,12,15)/b4-3-
InChIKeyVETRPYWPNLCGEK-ARJAWSKDSA-N
MW244.25 g/mol
LogP0.02
Rot. Bonds2

About [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate

[(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate (PubChem CID 144632180) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate.

Molecular Properties

Compound Name[(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate
PubChem CID144632180
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name[(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate
SMILESNC(=O)OC1/C=C\C(OC(N)=O)CC(O)CC1
InChIInChI=1S/C10H16N2O5/c11-9(14)16-7-2-1-6(13)5-8(4-3-7)17-10(12)15/h3-4,6-8,13H,1-2,5H2,(H2,11,14)(H2,12,15)/b4-3-
InChIKeyVETRPYWPNLCGEK-ARJAWSKDSA-N
XLogP0.02
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate 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

(6-hydroxycyclooct-2-en-1-yl) carbamate
CID 123921756
[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
CID 90182652
tert-butyl 2-[(2E)-6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl]acetate
CID 153277957
(3-hydroxycyclobutyl) carbamate;hydrochloride
CID 175125432
methyl (1S,4E,6S)-6-carbamoyloxycyclooct-4-ene-1-carboxylate
CID 177224563
[(1R,2S)-2-hydroxycyclopentyl] carbamate
CID 175128754
[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 90184256
(4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol
CID 166982109
[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 121291255
[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 67767382
[(1R,4S)-4-hydroxycyclohex-2-en-1-yl] 2,2-dimethylpropanoate
CID 15263359

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate?
The IUPAC name of [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate (CID 144632180) is [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate.
What is the SMILES notation for [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate?
The canonical SMILES for [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate is NC(=O)OC1/C=C\C(OC(N)=O)CC(O)CC1.
What is the InChIKey of [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate?
The InChIKey is VETRPYWPNLCGEK-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H16N2O5/c11-9(14)16-7-2-1-6(13)5-8(4-3-7)17-10(12)15/h3-4,6-8,13H,1-2,5H2,(H2,11,14)(H2,12,15)/b4-3-.
What are the key properties of [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate?
[(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate has a molecular weight of 244.25 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-carbamoyloxy-6-hydroxycyclooct-2-en-1-yl] carbamate is sourced from PubChem (CID 144632180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).