[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate

C10H18N2O2 — CID 138548914

IUPAC[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
SMILESNCNC(=O)OC1CC/C=C\CCC1
InChIInChI=1S/C10H18N2O2/c11-8-12-10(13)14-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8,11H2,(H,12,13)/b2-1-
InChIKeyMMFACMRJQOHHPW-UPHRSURJSA-N
MW198.27 g/mol
LogP1.52
Rot. Bonds2

About [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate

[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate (PubChem CID 138548914) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate.

Molecular Properties

Compound Name[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
PubChem CID138548914
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
SMILESNCNC(=O)OC1CC/C=C\CCC1
InChIInChI=1S/C10H18N2O2/c11-8-12-10(13)14-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8,11H2,(H,12,13)/b2-1-
InChIKeyMMFACMRJQOHHPW-UPHRSURJSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 146026023
[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate
CID 118053668
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 137334019
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(1S)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171318905
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 167312923
tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
CID 160957196
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 171318907
3-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]propanoic acid
CID 169491139
6-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]hexoxy-oxo-sulfidophosphanium
CID 170791902
[(4E)-cyclooct-4-en-1-yl] N-[3-(2-hydrazinylethoxy)-2,2-dimethylpropyl]carbamate
CID 171825168
N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide
CID 123295112
[(4Z)-cyclooct-4-en-1-yl] N-[3-[2-[2-[3-(diethylamino)propoxy]ethoxy]ethoxy]propyl]carbamate
CID 172513179

Frequently Asked Questions

What is the IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate?
The IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate (CID 138548914) is [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate.
What is the SMILES notation for [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate?
The canonical SMILES for [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate is NCNC(=O)OC1CC/C=C\CCC1.
What is the InChIKey of [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate?
The InChIKey is MMFACMRJQOHHPW-UPHRSURJSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-8-12-10(13)14-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8,11H2,(H,12,13)/b2-1-.
What are the key properties of [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate?
[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate has a molecular weight of 198.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate is sourced from PubChem (CID 138548914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).