(1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate

C11H18N2O2 — CID 142794437

IUPAC(1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(C#N)CC1CC1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)13-10(14)15-9(7-12)6-8-4-5-8/h8-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyDVBHWVATKADMDX-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.20
Rot. Bonds3

About (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate

(1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate (PubChem CID 142794437) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate
PubChem CID142794437
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(C#N)CC1CC1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)13-10(14)15-9(7-12)6-8-4-5-8/h8-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyDVBHWVATKADMDX-UHFFFAOYSA-N
XLogP2.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 57451908
hex-5-en-1-yn-3-yl N-tert-butylcarbamate
CID 174687513
[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175450748
[(1S)-2-(4-bromo-2-methoxyphenyl)-1-cyanoethyl] N-tert-butylcarbamate
CID 175406249
[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate
CID 175449330
[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
CID 174937493
(2S)-2-(tert-butylcarbamoyloxy)-3,3-dimethylbutanoic acid
CID 58690969
(2-amino-2-cyanopropyl) N-tert-butylcarbamate
CID 177248875
tert-butyl N-(1-cyano-3-cyclobutyl-1-oxopropan-2-yl)carbamate
CID 59789472
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide
CID 66431654
tert-butyl N-[1-(azanylidyne(113C)methyl)-3-cyclobutyl-1-hydroxypropan-2-yl]carbamate
CID 57385968

Frequently Asked Questions

What is the IUPAC name of (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate?
The IUPAC name of (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate (CID 142794437) is (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate.
What is the SMILES notation for (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate?
The canonical SMILES for (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(C#N)CC1CC1.
What is the InChIKey of (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate?
The InChIKey is DVBHWVATKADMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)13-10(14)15-9(7-12)6-8-4-5-8/h8-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate?
(1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate has a molecular weight of 210.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate is sourced from PubChem (CID 142794437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).