benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate

C16H21NO2 — CID 143016203

IUPACbenzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate
SMILESCC1CC=CC1CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO2/c1-13-7-6-10-15(13)11-17(2)16(18)19-12-14-8-4-3-5-9-14/h3-6,8-10,13,15H,7,11-12H2,1-2H3
InChIKeyHLXCYFLJLSNFBR-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.47
Rot. Bonds4

About benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate

benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate (PubChem CID 143016203) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate
PubChem CID143016203
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namebenzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate
SMILESCC1CC=CC1CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO2/c1-13-7-6-10-15(13)11-17(2)16(18)19-12-14-8-4-3-5-9-14/h3-6,8-10,13,15H,7,11-12H2,1-2H3
InChIKeyHLXCYFLJLSNFBR-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.47
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

benzyl (1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carboxylate
CID 134979924
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benzyl N,N-dimethylcarbamate
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benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
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benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
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CID 110710538
tert-butyl (2S)-2-[[methyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
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benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
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benzyl N-cyclopropyloxy-N-methylcarbamate
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[methyl(phenylmethoxycarbonyl)amino]methyl benzoate
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CID 144529181

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate (CID 143016203) is benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate is CC1CC=CC1CN(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate?
The InChIKey is HLXCYFLJLSNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-7-6-10-15(13)11-17(2)16(18)19-12-14-8-4-3-5-9-14/h3-6,8-10,13,15H,7,11-12H2,1-2H3.
What are the key properties of benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate?
benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate is sourced from PubChem (CID 143016203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).