tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate

C13H22N2O2 — CID 170384783

IUPACtert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate
SMILESCCC1(C(C)C#N)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-6-13(9(2)8-14)7-10(13)15-11(16)17-12(3,4)5/h9-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyGKVPWVGGGUJTKC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate

tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate (PubChem CID 170384783) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate
PubChem CID170384783
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nametert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate
SMILESCCC1(C(C)C#N)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-6-13(9(2)8-14)7-10(13)15-11(16)17-12(3,4)5/h9-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyGKVPWVGGGUJTKC-UHFFFAOYSA-N
XLogP2.84
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[1-(cyanomethyl)-2-propan-2-ylcyclopropyl]carbamate
CID 84799291
tert-butyl N-(1-cyano-1-hydroxypropan-2-yl)carbamate
CID 545704
tert-butyl N-[2-hydroxy-2-(oxiran-2-yl)cyclopropyl]carbamate
CID 59351920
tert-butyl N-[1-cyano-1-(cyclopropylamino)propan-2-yl]carbamate
CID 102730571
tert-butyl (3R)-3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 124559969
tert-butyl N-[(1S)-1-cyano-3,3-dimethylbutyl]carbamate
CID 129050700
tert-butyl (3S)-3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 86688754
tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
CID 84679804

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate (CID 170384783) is tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate is CCC1(C(C)C#N)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate?
The InChIKey is GKVPWVGGGUJTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-13(9(2)8-14)7-10(13)15-11(16)17-12(3,4)5/h9-10H,6-7H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate?
tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate has a molecular weight of 238.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-cyanoethyl)-2-ethylcyclopropyl]carbamate is sourced from PubChem (CID 170384783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).