4-oxopentan-2-yl carbamate

C6H11NO3 — CID 55285703

IUPAC4-oxopentan-2-yl carbamate
SMILESCC(=O)CC(C)OC(N)=O
InChIInChI=1S/C6H11NO3/c1-4(8)3-5(2)10-6(7)9/h5H,3H2,1-2H3,(H2,7,9)
InChIKeyAKHXLDNJFBWDEW-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.45
Rot. Bonds3

About 4-oxopentan-2-yl carbamate

4-oxopentan-2-yl carbamate (PubChem CID 55285703) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-oxopentan-2-yl carbamate.

Molecular Properties

Compound Name4-oxopentan-2-yl carbamate
PubChem CID55285703
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-oxopentan-2-yl carbamate
SMILESCC(=O)CC(C)OC(N)=O
InChIInChI=1S/C6H11NO3/c1-4(8)3-5(2)10-6(7)9/h5H,3H2,1-2H3,(H2,7,9)
InChIKeyAKHXLDNJFBWDEW-UHFFFAOYSA-N
XLogP0.45
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxopentan-2-yl carbamate?
The IUPAC name of 4-oxopentan-2-yl carbamate (CID 55285703) is 4-oxopentan-2-yl carbamate.
What is the SMILES notation for 4-oxopentan-2-yl carbamate?
The canonical SMILES for 4-oxopentan-2-yl carbamate is CC(=O)CC(C)OC(N)=O.
What is the InChIKey of 4-oxopentan-2-yl carbamate?
The InChIKey is AKHXLDNJFBWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(8)3-5(2)10-6(7)9/h5H,3H2,1-2H3,(H2,7,9).
What are the key properties of 4-oxopentan-2-yl carbamate?
4-oxopentan-2-yl carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopentan-2-yl carbamate is sourced from PubChem (CID 55285703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).