[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate

C11H19NO2 — CID 90049693

IUPAC[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CC/C=C\CCC1
InChIInChI=1S/C11H19NO2/c1-12(2)11(13)14-10-8-6-4-3-5-7-9-10/h3-4,10H,5-9H2,1-2H3/b4-3-
InChIKeyWPRLAVWXNOMLNK-ARJAWSKDSA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds1

About [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate

[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate (PubChem CID 90049693) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate
PubChem CID90049693
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CC/C=C\CCC1
InChIInChI=1S/C11H19NO2/c1-12(2)11(13)14-10-8-6-4-3-5-7-9-10/h3-4,10H,5-9H2,1-2H3/b4-3-
InChIKeyWPRLAVWXNOMLNK-ARJAWSKDSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl N,N-dimethylcarbamate
CID 91507793
[(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate
CID 171623081
tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
CID 160957196
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl-[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172907776
cyclobutyl N,N-diethylcarbamate
CID 89379531
[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
CID 138548914
cyclopentyl N-methyl-N-propan-2-ylcarbamate
CID 142239512
[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate
CID 118053668
(1-ethylpiperidin-3-yl) N,N-dimethylcarbamate
CID 45091641
pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
[(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

Frequently Asked Questions

What is the IUPAC name of [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate?
The IUPAC name of [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate (CID 90049693) is [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate?
The canonical SMILES for [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate is CN(C)C(=O)OC1CC/C=C\CCC1.
What is the InChIKey of [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate?
The InChIKey is WPRLAVWXNOMLNK-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12(2)11(13)14-10-8-6-4-3-5-7-9-10/h3-4,10H,5-9H2,1-2H3/b4-3-.
What are the key properties of [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate?
[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate has a molecular weight of 197.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 90049693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).