benzyl N-(1-formylcyclopropyl)-N-methylcarbamate

C13H15NO3 — CID 129285103

IUPACbenzyl N-(1-formylcyclopropyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1(C=O)CC1
InChIInChI=1S/C13H15NO3/c1-14(13(10-15)7-8-13)12(16)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyURIXYLURRGNXIZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.99
Rot. Bonds4

About benzyl N-(1-formylcyclopropyl)-N-methylcarbamate

benzyl N-(1-formylcyclopropyl)-N-methylcarbamate (PubChem CID 129285103) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is benzyl N-(1-formylcyclopropyl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(1-formylcyclopropyl)-N-methylcarbamate
PubChem CID129285103
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namebenzyl N-(1-formylcyclopropyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1(C=O)CC1
InChIInChI=1S/C13H15NO3/c1-14(13(10-15)7-8-13)12(16)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyURIXYLURRGNXIZ-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
CID 133060158
3-ethoxy-1-[methyl(phenylmethoxycarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106822762
benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
CID 58777440
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
benzyl 1-formylcyclohexane-1-carboxylate
CID 18623884
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-formylcyclopropyl)-N-methylcarbamate?
The IUPAC name of benzyl N-(1-formylcyclopropyl)-N-methylcarbamate (CID 129285103) is benzyl N-(1-formylcyclopropyl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(1-formylcyclopropyl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(1-formylcyclopropyl)-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1(C=O)CC1.
What is the InChIKey of benzyl N-(1-formylcyclopropyl)-N-methylcarbamate?
The InChIKey is URIXYLURRGNXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(13(10-15)7-8-13)12(16)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of benzyl N-(1-formylcyclopropyl)-N-methylcarbamate?
benzyl N-(1-formylcyclopropyl)-N-methylcarbamate has a molecular weight of 233.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-formylcyclopropyl)-N-methylcarbamate is sourced from PubChem (CID 129285103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).