butyl-(4-oxocyclohexyl)carbamic acid

C11H19NO3 — CID 69284638

IUPACbutyl-(4-oxocyclohexyl)carbamic acid
SMILESCCCCN(C(=O)O)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-2-3-8-12(11(14)15)9-4-6-10(13)7-5-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeyBQVYGQFRGJWHEZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.28
Rot. Bonds4

About butyl-(4-oxocyclohexyl)carbamic acid

butyl-(4-oxocyclohexyl)carbamic acid (PubChem CID 69284638) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is butyl-(4-oxocyclohexyl)carbamic acid.

Molecular Properties

Compound Namebutyl-(4-oxocyclohexyl)carbamic acid
PubChem CID69284638
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namebutyl-(4-oxocyclohexyl)carbamic acid
SMILESCCCCN(C(=O)O)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-2-3-8-12(11(14)15)9-4-6-10(13)7-5-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeyBQVYGQFRGJWHEZ-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butyl-(4-oxocyclohexyl)carbamic acid?
The IUPAC name of butyl-(4-oxocyclohexyl)carbamic acid (CID 69284638) is butyl-(4-oxocyclohexyl)carbamic acid.
What is the SMILES notation for butyl-(4-oxocyclohexyl)carbamic acid?
The canonical SMILES for butyl-(4-oxocyclohexyl)carbamic acid is CCCCN(C(=O)O)C1CCC(=O)CC1.
What is the InChIKey of butyl-(4-oxocyclohexyl)carbamic acid?
The InChIKey is BQVYGQFRGJWHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-8-12(11(14)15)9-4-6-10(13)7-5-9/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of butyl-(4-oxocyclohexyl)carbamic acid?
butyl-(4-oxocyclohexyl)carbamic acid has a molecular weight of 213.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(4-oxocyclohexyl)carbamic acid is sourced from PubChem (CID 69284638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).