1-propoxypropyl carbamate

C7H15NO3 — CID 19430620

IUPAC1-propoxypropyl carbamate
SMILESCCCOC(CC)OC(N)=O
InChIInChI=1S/C7H15NO3/c1-3-5-10-6(4-2)11-7(8)9/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyBGYZIKQWMDIIGE-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.24
Rot. Bonds5

About 1-propoxypropyl carbamate

1-propoxypropyl carbamate (PubChem CID 19430620) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-propoxypropyl carbamate.

Molecular Properties

Compound Name1-propoxypropyl carbamate
PubChem CID19430620
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-propoxypropyl carbamate
SMILESCCCOC(CC)OC(N)=O
InChIInChI=1S/C7H15NO3/c1-3-5-10-6(4-2)11-7(8)9/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyBGYZIKQWMDIIGE-UHFFFAOYSA-N
XLogP1.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propoxypropyl carbamate?
The IUPAC name of 1-propoxypropyl carbamate (CID 19430620) is 1-propoxypropyl carbamate.
What is the SMILES notation for 1-propoxypropyl carbamate?
The canonical SMILES for 1-propoxypropyl carbamate is CCCOC(CC)OC(N)=O.
What is the InChIKey of 1-propoxypropyl carbamate?
The InChIKey is BGYZIKQWMDIIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-5-10-6(4-2)11-7(8)9/h6H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 1-propoxypropyl carbamate?
1-propoxypropyl carbamate has a molecular weight of 161.20 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxypropyl carbamate is sourced from PubChem (CID 19430620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).