1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C13H24N2O2 — CID 108914981

IUPAC1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NCC1CCCO1)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-10(13(2,3)4)8-14-12(16)15-9-11-6-5-7-17-11/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16)/b10-8+
InChIKeyAGPUTYMBNFXSPR-CSKARUKUSA-N
MW240.35 g/mol
LogP2.41
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108914981) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108914981
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NCC1CCCO1)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-10(13(2,3)4)8-14-12(16)15-9-11-6-5-7-17-11/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16)/b10-8+
InChIKeyAGPUTYMBNFXSPR-CSKARUKUSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea
CID 108913862
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113166068
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
3-methyl-2-[(oxolan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218986
3-(azepan-1-yl)-2,2-dimethyl-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960062

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108914981) is 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is C/C(=C\NC(=O)NCC1CCCO1)C(C)(C)C.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is AGPUTYMBNFXSPR-CSKARUKUSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(13(2,3)4)8-14-12(16)15-9-11-6-5-7-17-11/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16)/b10-8+.
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 240.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108914981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).