1-(2-oxooxolan-3-yl)-3-pentylurea

C10H18N2O3 — CID 177378558

IUPAC1-(2-oxooxolan-3-yl)-3-pentylurea
SMILESCCCCCNC(=O)NC1CCOC1=O
InChIInChI=1S/C10H18N2O3/c1-2-3-4-6-11-10(14)12-8-5-7-15-9(8)13/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyIRQPCZNIJHWXNK-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.79
Rot. Bonds5

About 1-(2-oxooxolan-3-yl)-3-pentylurea

1-(2-oxooxolan-3-yl)-3-pentylurea (PubChem CID 177378558) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-oxooxolan-3-yl)-3-pentylurea.

Molecular Properties

Compound Name1-(2-oxooxolan-3-yl)-3-pentylurea
PubChem CID177378558
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2-oxooxolan-3-yl)-3-pentylurea
SMILESCCCCCNC(=O)NC1CCOC1=O
InChIInChI=1S/C10H18N2O3/c1-2-3-4-6-11-10(14)12-8-5-7-15-9(8)13/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyIRQPCZNIJHWXNK-UHFFFAOYSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 1-(2-oxooxolan-3-yl)-3-pentylurea?
The IUPAC name of 1-(2-oxooxolan-3-yl)-3-pentylurea (CID 177378558) is 1-(2-oxooxolan-3-yl)-3-pentylurea.
What is the SMILES notation for 1-(2-oxooxolan-3-yl)-3-pentylurea?
The canonical SMILES for 1-(2-oxooxolan-3-yl)-3-pentylurea is CCCCCNC(=O)NC1CCOC1=O.
What is the InChIKey of 1-(2-oxooxolan-3-yl)-3-pentylurea?
The InChIKey is IRQPCZNIJHWXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-3-4-6-11-10(14)12-8-5-7-15-9(8)13/h8H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-oxooxolan-3-yl)-3-pentylurea?
1-(2-oxooxolan-3-yl)-3-pentylurea has a molecular weight of 214.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxooxolan-3-yl)-3-pentylurea is sourced from PubChem (CID 177378558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).