3-(pentylamino)oxolan-2-one

C9H17NO2 — CID 43825738

IUPAC3-(pentylamino)oxolan-2-one
SMILESCCCCCNC1CCOC1=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-6-10-8-5-7-12-9(8)11/h8,10H,2-7H2,1H3
InChIKeyRPYQOQBUDWQPOA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds5

About 3-(pentylamino)oxolan-2-one

3-(pentylamino)oxolan-2-one (PubChem CID 43825738) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(pentylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(pentylamino)oxolan-2-one
PubChem CID43825738
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(pentylamino)oxolan-2-one
SMILESCCCCCNC1CCOC1=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-6-10-8-5-7-12-9(8)11/h8,10H,2-7H2,1H3
InChIKeyRPYQOQBUDWQPOA-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(pentylamino)oxolan-2-one?
The IUPAC name of 3-(pentylamino)oxolan-2-one (CID 43825738) is 3-(pentylamino)oxolan-2-one.
What is the SMILES notation for 3-(pentylamino)oxolan-2-one?
The canonical SMILES for 3-(pentylamino)oxolan-2-one is CCCCCNC1CCOC1=O.
What is the InChIKey of 3-(pentylamino)oxolan-2-one?
The InChIKey is RPYQOQBUDWQPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-6-10-8-5-7-12-9(8)11/h8,10H,2-7H2,1H3.
What are the key properties of 3-(pentylamino)oxolan-2-one?
3-(pentylamino)oxolan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)oxolan-2-one is sourced from PubChem (CID 43825738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).