4-(dipentylamino)oxolan-2-one

C14H27NO2 — CID 70415503

IUPAC4-(dipentylamino)oxolan-2-one
SMILESCCCCCN(CCCCC)C1COC(=O)C1
InChIInChI=1S/C14H27NO2/c1-3-5-7-9-15(10-8-6-4-2)13-11-14(16)17-12-13/h13H,3-12H2,1-2H3
InChIKeyRSLIMERDBHICCH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.98
Rot. Bonds9

About 4-(dipentylamino)oxolan-2-one

4-(dipentylamino)oxolan-2-one (PubChem CID 70415503) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-(dipentylamino)oxolan-2-one.

Molecular Properties

Compound Name4-(dipentylamino)oxolan-2-one
PubChem CID70415503
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-(dipentylamino)oxolan-2-one
SMILESCCCCCN(CCCCC)C1COC(=O)C1
InChIInChI=1S/C14H27NO2/c1-3-5-7-9-15(10-8-6-4-2)13-11-14(16)17-12-13/h13H,3-12H2,1-2H3
InChIKeyRSLIMERDBHICCH-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 4-(dipentylamino)oxolan-2-one?
The IUPAC name of 4-(dipentylamino)oxolan-2-one (CID 70415503) is 4-(dipentylamino)oxolan-2-one.
What is the SMILES notation for 4-(dipentylamino)oxolan-2-one?
The canonical SMILES for 4-(dipentylamino)oxolan-2-one is CCCCCN(CCCCC)C1COC(=O)C1.
What is the InChIKey of 4-(dipentylamino)oxolan-2-one?
The InChIKey is RSLIMERDBHICCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-7-9-15(10-8-6-4-2)13-11-14(16)17-12-13/h13H,3-12H2,1-2H3.
What are the key properties of 4-(dipentylamino)oxolan-2-one?
4-(dipentylamino)oxolan-2-one has a molecular weight of 241.37 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipentylamino)oxolan-2-one is sourced from PubChem (CID 70415503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).