cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate

C8H11NO2 — CID 134109882

IUPACcyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCC1=CCC=C1
InChIInChI=1S/C8H11NO2/c1-9-8(10)11-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3,(H,9,10)
InChIKeyDYDMRSOVUCHVLQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.23
Rot. Bonds2

About cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate

cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate (PubChem CID 134109882) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate
PubChem CID134109882
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namecyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCC1=CCC=C1
InChIInChI=1S/C8H11NO2/c1-9-8(10)11-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3,(H,9,10)
InChIKeyDYDMRSOVUCHVLQ-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
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cyclopenta-1,4-dien-1-ylmethoxy(trimethyl)silane
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N-(cyclopenta-1,4-dien-1-ylmethyl)-2-oxopropanamide
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cyclohepta-1,6-dien-1-ylmethyl (2S)-2-aminopropanoate
CID 172578392
cyclohexa-1,5-dien-1-ylmethyl (2S)-2-(methylamino)-4-oxopentanoate
CID 145192095
2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)butanedioic acid
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[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate
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methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium
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furan-3-ylmethyl N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate?
The IUPAC name of cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate (CID 134109882) is cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate?
The canonical SMILES for cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate is CNC(=O)OCC1=CCC=C1.
What is the InChIKey of cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate?
The InChIKey is DYDMRSOVUCHVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-8(10)11-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3,(H,9,10).
What are the key properties of cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate?
cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate has a molecular weight of 153.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate is sourced from PubChem (CID 134109882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).