1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea

C12H20N2O3 — CID 103864108

IUPAC1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea
SMILESO=C(NC1CCOC1)NC1CCOC1C1CC1
InChIInChI=1S/C12H20N2O3/c15-12(13-9-3-5-16-7-9)14-10-4-6-17-11(10)8-1-2-8/h8-11H,1-7H2,(H2,13,14,15)
InChIKeyROLNXLYOJGUMSY-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.64
Rot. Bonds3

About 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea

1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea (PubChem CID 103864108) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea
PubChem CID103864108
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea
SMILESO=C(NC1CCOC1)NC1CCOC1C1CC1
InChIInChI=1S/C12H20N2O3/c15-12(13-9-3-5-16-7-9)14-10-4-6-17-11(10)8-1-2-8/h8-11H,1-7H2,(H2,13,14,15)
InChIKeyROLNXLYOJGUMSY-UHFFFAOYSA-N
XLogP0.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
2-[(2-cyclopropyloxolan-3-yl)amino]-N-(oxan-4-yl)acetamide
CID 103580741
4-[[(3S)-oxolan-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 166261092
N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide
CID 136588922
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
1-(1,1-dioxothiolan-3-yl)-3-(oxolan-3-yl)urea
CID 115755745
1-but-3-en-2-yl-3-(oxolan-3-yl)urea
CID 115759178
1-(1,1-dioxothian-3-yl)-3-(oxolan-3-yl)urea
CID 104600923
4-amino-N-(2-cyclopropyloxolan-3-yl)oxane-4-carboxamide
CID 103951092
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea
CID 116656982
2-oxo-N-[(3S)-oxolan-3-yl]acetamide
CID 139551845

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea (CID 103864108) is 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea is O=C(NC1CCOC1)NC1CCOC1C1CC1.
What is the InChIKey of 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea?
The InChIKey is ROLNXLYOJGUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-12(13-9-3-5-16-7-9)14-10-4-6-17-11(10)8-1-2-8/h8-11H,1-7H2,(H2,13,14,15).
What are the key properties of 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea?
1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea has a molecular weight of 240.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 103864108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).