1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea

C8H13ClN2O2 — CID 115759096

IUPAC1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
SMILESC=C(Cl)CNC(=O)NC1CCOC1
InChIInChI=1S/C8H13ClN2O2/c1-6(9)4-10-8(12)11-7-2-3-13-5-7/h7H,1-5H2,(H2,10,11,12)
InChIKeyRCOYFAFKAHPSJY-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.83
Rot. Bonds3

About 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea

1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea (PubChem CID 115759096) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
PubChem CID115759096
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
SMILESC=C(Cl)CNC(=O)NC1CCOC1
InChIInChI=1S/C8H13ClN2O2/c1-6(9)4-10-8(12)11-7-2-3-13-5-7/h7H,1-5H2,(H2,10,11,12)
InChIKeyRCOYFAFKAHPSJY-UHFFFAOYSA-N
XLogP0.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088
1-(2,2-dimethylheptyl)-3-(oxolan-3-yl)urea
CID 115759165
1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 154765265
1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 116655203

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea (CID 115759096) is 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea is C=C(Cl)CNC(=O)NC1CCOC1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea?
The InChIKey is RCOYFAFKAHPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-6(9)4-10-8(12)11-7-2-3-13-5-7/h7H,1-5H2,(H2,10,11,12).
What are the key properties of 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea?
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea has a molecular weight of 204.66 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).