propyl carbamate

C4H9NO2 — CID 12306

IUPACpropyl carbamate
SMILESCCCOC(N)=O
InChIInChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeyYNTOKMNHRPSGFU-UHFFFAOYSA-N
MW103.12 g/mol
LogP0.49
Rot. Bonds2

About propyl carbamate

propyl carbamate (PubChem CID 12306) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is propyl carbamate.

Molecular Properties

Compound Namepropyl carbamate
PubChem CID12306
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Namepropyl carbamate
SMILESCCCOC(N)=O
InChIInChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeyYNTOKMNHRPSGFU-UHFFFAOYSA-N
XLogP0.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl carbamate?
The IUPAC name of propyl carbamate (CID 12306) is propyl carbamate.
What is the SMILES notation for propyl carbamate?
The canonical SMILES for propyl carbamate is CCCOC(N)=O.
What is the InChIKey of propyl carbamate?
The InChIKey is YNTOKMNHRPSGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6).
What are the key properties of propyl carbamate?
propyl carbamate has a molecular weight of 103.12 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl carbamate is sourced from PubChem (CID 12306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).