(3-oxocyclohexyl)carbamic acid

C7H11NO3 — CID 68660976

IUPAC(3-oxocyclohexyl)carbamic acid
SMILESO=C1CCCC(NC(=O)O)C1
InChIInChI=1S/C7H11NO3/c9-6-3-1-2-5(4-6)8-7(10)11/h5,8H,1-4H2,(H,10,11)
InChIKeyDFOBRLZHRLOXNM-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.77
Rot. Bonds1

About (3-oxocyclohexyl)carbamic acid

(3-oxocyclohexyl)carbamic acid (PubChem CID 68660976) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3-oxocyclohexyl)carbamic acid.

Molecular Properties

Compound Name(3-oxocyclohexyl)carbamic acid
PubChem CID68660976
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3-oxocyclohexyl)carbamic acid
SMILESO=C1CCCC(NC(=O)O)C1
InChIInChI=1S/C7H11NO3/c9-6-3-1-2-5(4-6)8-7(10)11/h5,8H,1-4H2,(H,10,11)
InChIKeyDFOBRLZHRLOXNM-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-oxocyclohexyl)carbamic acid?
The IUPAC name of (3-oxocyclohexyl)carbamic acid (CID 68660976) is (3-oxocyclohexyl)carbamic acid.
What is the SMILES notation for (3-oxocyclohexyl)carbamic acid?
The canonical SMILES for (3-oxocyclohexyl)carbamic acid is O=C1CCCC(NC(=O)O)C1.
What is the InChIKey of (3-oxocyclohexyl)carbamic acid?
The InChIKey is DFOBRLZHRLOXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-3-1-2-5(4-6)8-7(10)11/h5,8H,1-4H2,(H,10,11).
What are the key properties of (3-oxocyclohexyl)carbamic acid?
(3-oxocyclohexyl)carbamic acid has a molecular weight of 157.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclohexyl)carbamic acid is sourced from PubChem (CID 68660976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).