(1-cyano-3,3-dimethylbutan-2-yl) carbamate

C8H14N2O2 — CID 89240462

IUPAC(1-cyano-3,3-dimethylbutan-2-yl) carbamate
SMILESCC(C)(C)C(CC#N)OC(N)=O
InChIInChI=1S/C8H14N2O2/c1-8(2,3)6(4-5-9)12-7(10)11/h6H,4H2,1-3H3,(H2,10,11)
InChIKeyOHOOAPYMEIPYMV-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.41
Rot. Bonds2

About (1-cyano-3,3-dimethylbutan-2-yl) carbamate

(1-cyano-3,3-dimethylbutan-2-yl) carbamate (PubChem CID 89240462) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1-cyano-3,3-dimethylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(1-cyano-3,3-dimethylbutan-2-yl) carbamate
PubChem CID89240462
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1-cyano-3,3-dimethylbutan-2-yl) carbamate
SMILESCC(C)(C)C(CC#N)OC(N)=O
InChIInChI=1S/C8H14N2O2/c1-8(2,3)6(4-5-9)12-7(10)11/h6H,4H2,1-3H3,(H2,10,11)
InChIKeyOHOOAPYMEIPYMV-UHFFFAOYSA-N
XLogP1.41
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyano-3,3-dimethylbutan-2-yl) carbamate?
The IUPAC name of (1-cyano-3,3-dimethylbutan-2-yl) carbamate (CID 89240462) is (1-cyano-3,3-dimethylbutan-2-yl) carbamate.
What is the SMILES notation for (1-cyano-3,3-dimethylbutan-2-yl) carbamate?
The canonical SMILES for (1-cyano-3,3-dimethylbutan-2-yl) carbamate is CC(C)(C)C(CC#N)OC(N)=O.
What is the InChIKey of (1-cyano-3,3-dimethylbutan-2-yl) carbamate?
The InChIKey is OHOOAPYMEIPYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,3)6(4-5-9)12-7(10)11/h6H,4H2,1-3H3,(H2,10,11).
What are the key properties of (1-cyano-3,3-dimethylbutan-2-yl) carbamate?
(1-cyano-3,3-dimethylbutan-2-yl) carbamate has a molecular weight of 170.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyano-3,3-dimethylbutan-2-yl) carbamate is sourced from PubChem (CID 89240462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).