1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea

C10H18N2O2 — CID 115758248

IUPAC1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
SMILESCC(NC(=O)NC1CCOC1)C1CC1
InChIInChI=1S/C10H18N2O2/c1-7(8-2-3-8)11-10(13)12-9-4-5-14-6-9/h7-9H,2-6H2,1H3,(H2,11,12,13)
InChIKeyXMKMSGBIJMUUKD-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.87
Rot. Bonds3

About 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea

1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea (PubChem CID 115758248) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
PubChem CID115758248
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
SMILESCC(NC(=O)NC1CCOC1)C1CC1
InChIInChI=1S/C10H18N2O2/c1-7(8-2-3-8)11-10(13)12-9-4-5-14-6-9/h7-9H,2-6H2,1H3,(H2,11,12,13)
InChIKeyXMKMSGBIJMUUKD-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-en-2-yl-3-(oxolan-3-yl)urea
CID 115759178
N-methyl-2-(oxolan-3-ylcarbamoylamino)propanamide
CID 115758780
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
1-hexan-3-yl-3-(oxolan-3-yl)urea
CID 115759008
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea
CID 97227726

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea (CID 115758248) is 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea is CC(NC(=O)NC1CCOC1)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea?
The InChIKey is XMKMSGBIJMUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(8-2-3-8)11-10(13)12-9-4-5-14-6-9/h7-9H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea?
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea has a molecular weight of 198.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).