(4-oxocyclohexyl) carbamate

C7H11NO3 — CID 68755566

IUPAC(4-oxocyclohexyl) carbamate
SMILESNC(=O)OC1CCC(=O)CC1
InChIInChI=1S/C7H11NO3/c8-7(10)11-6-3-1-5(9)2-4-6/h6H,1-4H2,(H2,8,10)
InChIKeyCOWFSVXNQHIZDB-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.59
Rot. Bonds1

About (4-oxocyclohexyl) carbamate

(4-oxocyclohexyl) carbamate (PubChem CID 68755566) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4-oxocyclohexyl) carbamate.

Molecular Properties

Compound Name(4-oxocyclohexyl) carbamate
PubChem CID68755566
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4-oxocyclohexyl) carbamate
SMILESNC(=O)OC1CCC(=O)CC1
InChIInChI=1S/C7H11NO3/c8-7(10)11-6-3-1-5(9)2-4-6/h6H,1-4H2,(H2,8,10)
InChIKeyCOWFSVXNQHIZDB-UHFFFAOYSA-N
XLogP0.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-oxocyclohexyl) carbamate?
The IUPAC name of (4-oxocyclohexyl) carbamate (CID 68755566) is (4-oxocyclohexyl) carbamate.
What is the SMILES notation for (4-oxocyclohexyl) carbamate?
The canonical SMILES for (4-oxocyclohexyl) carbamate is NC(=O)OC1CCC(=O)CC1.
What is the InChIKey of (4-oxocyclohexyl) carbamate?
The InChIKey is COWFSVXNQHIZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c8-7(10)11-6-3-1-5(9)2-4-6/h6H,1-4H2,(H2,8,10).
What are the key properties of (4-oxocyclohexyl) carbamate?
(4-oxocyclohexyl) carbamate has a molecular weight of 157.17 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxocyclohexyl) carbamate is sourced from PubChem (CID 68755566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).