pentan-2-yl carbamate

C6H13NO2 — CID 10948

IUPACpentan-2-yl carbamate
SMILESCCCC(C)OC(N)=O
InChIInChI=1S/C6H13NO2/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyHZMVPSHLMIQQNX-UHFFFAOYSA-N
MW131.17 g/mol
LogP1.27
Rot. Bonds3

About pentan-2-yl carbamate

pentan-2-yl carbamate (PubChem CID 10948) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is pentan-2-yl carbamate.

Molecular Properties

Compound Namepentan-2-yl carbamate
PubChem CID10948
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namepentan-2-yl carbamate
SMILESCCCC(C)OC(N)=O
InChIInChI=1S/C6H13NO2/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyHZMVPSHLMIQQNX-UHFFFAOYSA-N
XLogP1.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentan-2-yl carbamate?
The IUPAC name of pentan-2-yl carbamate (CID 10948) is pentan-2-yl carbamate.
What is the SMILES notation for pentan-2-yl carbamate?
The canonical SMILES for pentan-2-yl carbamate is CCCC(C)OC(N)=O.
What is the InChIKey of pentan-2-yl carbamate?
The InChIKey is HZMVPSHLMIQQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of pentan-2-yl carbamate?
pentan-2-yl carbamate has a molecular weight of 131.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl carbamate is sourced from PubChem (CID 10948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).