5-oxooctan-4-yl carbamate

C9H17NO3 — CID 134890939

IUPAC5-oxooctan-4-yl carbamate
SMILESCCCC(=O)C(CCC)OC(N)=O
InChIInChI=1S/C9H17NO3/c1-3-5-7(11)8(6-4-2)13-9(10)12/h8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyHZNWXRGPJBGDBC-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.62
Rot. Bonds6

About 5-oxooctan-4-yl carbamate

5-oxooctan-4-yl carbamate (PubChem CID 134890939) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-oxooctan-4-yl carbamate.

Molecular Properties

Compound Name5-oxooctan-4-yl carbamate
PubChem CID134890939
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-oxooctan-4-yl carbamate
SMILESCCCC(=O)C(CCC)OC(N)=O
InChIInChI=1S/C9H17NO3/c1-3-5-7(11)8(6-4-2)13-9(10)12/h8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyHZNWXRGPJBGDBC-UHFFFAOYSA-N
XLogP1.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxooctan-4-yl carbamate?
The IUPAC name of 5-oxooctan-4-yl carbamate (CID 134890939) is 5-oxooctan-4-yl carbamate.
What is the SMILES notation for 5-oxooctan-4-yl carbamate?
The canonical SMILES for 5-oxooctan-4-yl carbamate is CCCC(=O)C(CCC)OC(N)=O.
What is the InChIKey of 5-oxooctan-4-yl carbamate?
The InChIKey is HZNWXRGPJBGDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-7(11)8(6-4-2)13-9(10)12/h8H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 5-oxooctan-4-yl carbamate?
5-oxooctan-4-yl carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxooctan-4-yl carbamate is sourced from PubChem (CID 134890939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).