[2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate

C20H23NO2S — CID 92902015

IUPAC[2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(/C=C\C2=CCCCCC2)sc2ccccc12
InChIInChI=1S/C20H23NO2S/c1-21(2)20(22)23-19-16-11-7-8-12-17(16)24-18(19)14-13-15-9-5-3-4-6-10-15/h7-9,11-14H,3-6,10H2,1-2H3/b14-13-
InChIKeyUONGBAKTXJNUGV-YPKPFQOOSA-N
MW341.48 g/mol
LogP5.87
Rot. Bonds3

About [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate

[2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate (PubChem CID 92902015) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate
PubChem CID92902015
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name[2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(/C=C\C2=CCCCCC2)sc2ccccc12
InChIInChI=1S/C20H23NO2S/c1-21(2)20(22)23-19-16-11-7-8-12-17(16)24-18(19)14-13-15-9-5-3-4-6-10-15/h7-9,11-14H,3-6,10H2,1-2H3/b14-13-
InChIKeyUONGBAKTXJNUGV-YPKPFQOOSA-N
XLogP5.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(3-oxocyclohexen-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate
CID 23880200
[2-[(1Z)-4-methylpenta-1,3-dienyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate
CID 92897085
methyl 3-(cyclohexen-1-yl)prop-2-enoate
CID 53425583
[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate
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3-[(1E)-cycloocten-1-yl]prop-2-enoic acid
CID 70063613
2-(cyclohexen-1-yl)-N,N-dimethylethenamine
CID 71333973
1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene
CID 134863597
2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450421
[2-[[methyl(phenyl)hydrazinylidene]methyl]-1-benzothiophen-3-yl] 3-bromobenzoate
CID 3813807
[(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane
CID 14195281
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-benzothiophen-3-yl]prop-2-enoate
CID 135014800
[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
CID 20709372

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate (CID 92902015) is [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1c(/C=C\C2=CCCCCC2)sc2ccccc12.
What is the InChIKey of [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate?
The InChIKey is UONGBAKTXJNUGV-YPKPFQOOSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-21(2)20(22)23-19-16-11-7-8-12-17(16)24-18(19)14-13-15-9-5-3-4-6-10-15/h7-9,11-14H,3-6,10H2,1-2H3/b14-13-.
What are the key properties of [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate?
[2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate has a molecular weight of 341.48 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 92902015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).