ethyl N-[(1S)-2-oxocyclohexyl]carbamate

C9H15NO3 — CID 10856185

IUPACethyl N-[(1S)-2-oxocyclohexyl]carbamate
SMILESCCOC(=O)N[C@H]1CCCCC1=O
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)10-7-5-3-4-6-8(7)11/h7H,2-6H2,1H3,(H,10,12)/t7-/m0/s1
InChIKeyCHDHEMYTBPOZHM-ZETCQYMHSA-N
MW185.22 g/mol
LogP1.24
Rot. Bonds2

About ethyl N-[(1S)-2-oxocyclohexyl]carbamate

ethyl N-[(1S)-2-oxocyclohexyl]carbamate (PubChem CID 10856185) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl N-[(1S)-2-oxocyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1S)-2-oxocyclohexyl]carbamate
PubChem CID10856185
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl N-[(1S)-2-oxocyclohexyl]carbamate
SMILESCCOC(=O)N[C@H]1CCCCC1=O
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)10-7-5-3-4-6-8(7)11/h7H,2-6H2,1H3,(H,10,12)/t7-/m0/s1
InChIKeyCHDHEMYTBPOZHM-ZETCQYMHSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1S)-2-oxocyclohexyl]carbamate?
The IUPAC name of ethyl N-[(1S)-2-oxocyclohexyl]carbamate (CID 10856185) is ethyl N-[(1S)-2-oxocyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[(1S)-2-oxocyclohexyl]carbamate?
The canonical SMILES for ethyl N-[(1S)-2-oxocyclohexyl]carbamate is CCOC(=O)N[C@H]1CCCCC1=O.
What is the InChIKey of ethyl N-[(1S)-2-oxocyclohexyl]carbamate?
The InChIKey is CHDHEMYTBPOZHM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-13-9(12)10-7-5-3-4-6-8(7)11/h7H,2-6H2,1H3,(H,10,12)/t7-/m0/s1.
What are the key properties of ethyl N-[(1S)-2-oxocyclohexyl]carbamate?
ethyl N-[(1S)-2-oxocyclohexyl]carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1S)-2-oxocyclohexyl]carbamate is sourced from PubChem (CID 10856185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).