[1-(methoxymethyl)cyclopropyl] N-benzylcarbamate

C13H17NO3 — CID 91421121

IUPAC[1-(methoxymethyl)cyclopropyl] N-benzylcarbamate
SMILESCOCC1(OC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c1-16-10-13(7-8-13)17-12(15)14-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeyPVJKMNJFMPDDFO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.09
Rot. Bonds5

About [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate

[1-(methoxymethyl)cyclopropyl] N-benzylcarbamate (PubChem CID 91421121) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate.

Molecular Properties

Compound Name[1-(methoxymethyl)cyclopropyl] N-benzylcarbamate
PubChem CID91421121
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[1-(methoxymethyl)cyclopropyl] N-benzylcarbamate
SMILESCOCC1(OC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c1-16-10-13(7-8-13)17-12(15)14-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeyPVJKMNJFMPDDFO-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
benzene;ethyl N-benzylcarbamate
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ethane;methyl 4-(benzylcarbamoyl)bicyclo[2.2.2]octane-1-carboxylate
CID 145402428
N-benzyl-2-(methoxyamino)acetamide
CID 60702706
(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
CID 177145440
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
(4-methylphenyl) N-benzylcarbamate
CID 14292552
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
1-benzyl-3-methylurea;ethane
CID 90763782
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate?
The IUPAC name of [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate (CID 91421121) is [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate.
What is the SMILES notation for [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate?
The canonical SMILES for [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate is COCC1(OC(=O)NCc2ccccc2)CC1.
What is the InChIKey of [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate?
The InChIKey is PVJKMNJFMPDDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-10-13(7-8-13)17-12(15)14-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15).
What are the key properties of [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate?
[1-(methoxymethyl)cyclopropyl] N-benzylcarbamate has a molecular weight of 235.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)cyclopropyl] N-benzylcarbamate is sourced from PubChem (CID 91421121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).