propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate

C11H19NO3 — CID 79120558

IUPACpropan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate
SMILESCC(C)OC(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-8(2)15-11(14)12(3)9-4-6-10(13)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyDMXVRDLLLFIKFU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.97
Rot. Bonds2

About propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate

propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate (PubChem CID 79120558) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate
PubChem CID79120558
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namepropan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate
SMILESCC(C)OC(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-8(2)15-11(14)12(3)9-4-6-10(13)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyDMXVRDLLLFIKFU-UHFFFAOYSA-N
XLogP1.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate?
The IUPAC name of propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate (CID 79120558) is propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate is CC(C)OC(=O)N(C)C1CCC(=O)CC1.
What is the InChIKey of propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate?
The InChIKey is DMXVRDLLLFIKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)15-11(14)12(3)9-4-6-10(13)7-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate?
propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate is sourced from PubChem (CID 79120558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).