benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate

C15H21NO2 — CID 130791608

IUPACbenzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C1CC1(C)C
InChIInChI=1S/C15H21NO2/c1-11(13-9-15(13,2)3)16-14(17)18-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)
InChIKeyIGDOTTKFUBNSGM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.35
Rot. Bonds4

About benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate

benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate (PubChem CID 130791608) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate
PubChem CID130791608
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C1CC1(C)C
InChIInChI=1S/C15H21NO2/c1-11(13-9-15(13,2)3)16-14(17)18-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)
InChIKeyIGDOTTKFUBNSGM-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate (CID 130791608) is benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)C1CC1(C)C.
What is the InChIKey of benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate?
The InChIKey is IGDOTTKFUBNSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(13-9-15(13,2)3)16-14(17)18-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17).
What are the key properties of benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate?
benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate is sourced from PubChem (CID 130791608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).