(2-methyl-1-nitrosopropan-2-yl) carbamate

C5H10N2O3 — CID 118038589

IUPAC(2-methyl-1-nitrosopropan-2-yl) carbamate
SMILESCC(C)(CN=O)OC(N)=O
InChIInChI=1S/C5H10N2O3/c1-5(2,3-7-9)10-4(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyRPNJPLBJOXPOIR-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.63
Rot. Bonds3

About (2-methyl-1-nitrosopropan-2-yl) carbamate

(2-methyl-1-nitrosopropan-2-yl) carbamate (PubChem CID 118038589) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2-methyl-1-nitrosopropan-2-yl) carbamate.

Molecular Properties

Compound Name(2-methyl-1-nitrosopropan-2-yl) carbamate
PubChem CID118038589
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2-methyl-1-nitrosopropan-2-yl) carbamate
SMILESCC(C)(CN=O)OC(N)=O
InChIInChI=1S/C5H10N2O3/c1-5(2,3-7-9)10-4(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyRPNJPLBJOXPOIR-UHFFFAOYSA-N
XLogP0.63
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-nitrosopropan-2-yl) carbamate?
The IUPAC name of (2-methyl-1-nitrosopropan-2-yl) carbamate (CID 118038589) is (2-methyl-1-nitrosopropan-2-yl) carbamate.
What is the SMILES notation for (2-methyl-1-nitrosopropan-2-yl) carbamate?
The canonical SMILES for (2-methyl-1-nitrosopropan-2-yl) carbamate is CC(C)(CN=O)OC(N)=O.
What is the InChIKey of (2-methyl-1-nitrosopropan-2-yl) carbamate?
The InChIKey is RPNJPLBJOXPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-5(2,3-7-9)10-4(6)8/h3H2,1-2H3,(H2,6,8).
What are the key properties of (2-methyl-1-nitrosopropan-2-yl) carbamate?
(2-methyl-1-nitrosopropan-2-yl) carbamate has a molecular weight of 146.15 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-nitrosopropan-2-yl) carbamate is sourced from PubChem (CID 118038589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).