1-but-3-en-2-yl-3-(oxolan-3-yl)urea

C9H16N2O2 — CID 115759178

IUPAC1-but-3-en-2-yl-3-(oxolan-3-yl)urea
SMILESC=CC(C)NC(=O)NC1CCOC1
InChIInChI=1S/C9H16N2O2/c1-3-7(2)10-9(12)11-8-4-5-13-6-8/h3,7-8H,1,4-6H2,2H3,(H2,10,11,12)
InChIKeyFXAFVLYLQDXWAE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.65
Rot. Bonds3

About 1-but-3-en-2-yl-3-(oxolan-3-yl)urea

1-but-3-en-2-yl-3-(oxolan-3-yl)urea (PubChem CID 115759178) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-(oxolan-3-yl)urea
PubChem CID115759178
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-but-3-en-2-yl-3-(oxolan-3-yl)urea
SMILESC=CC(C)NC(=O)NC1CCOC1
InChIInChI=1S/C9H16N2O2/c1-3-7(2)10-9(12)11-8-4-5-13-6-8/h3,7-8H,1,4-6H2,2H3,(H2,10,11,12)
InChIKeyFXAFVLYLQDXWAE-UHFFFAOYSA-N
XLogP0.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
N-methyl-2-(oxolan-3-ylcarbamoylamino)propanamide
CID 115758780
1-hexan-3-yl-3-(oxolan-3-yl)urea
CID 115759008
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
CID 104929916
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-but-3-en-2-yl-3-(oxolan-3-yl)urea (CID 115759178) is 1-but-3-en-2-yl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-but-3-en-2-yl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-but-3-en-2-yl-3-(oxolan-3-yl)urea is C=CC(C)NC(=O)NC1CCOC1.
What is the InChIKey of 1-but-3-en-2-yl-3-(oxolan-3-yl)urea?
The InChIKey is FXAFVLYLQDXWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-7(2)10-9(12)11-8-4-5-13-6-8/h3,7-8H,1,4-6H2,2H3,(H2,10,11,12).
What are the key properties of 1-but-3-en-2-yl-3-(oxolan-3-yl)urea?
1-but-3-en-2-yl-3-(oxolan-3-yl)urea has a molecular weight of 184.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).