1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea

C16H20N2O3 — CID 108914073

IUPAC1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C16H20N2O3/c1-11(12-4-2-3-5-12)9-17-16(19)18-13-6-7-14-15(8-13)21-10-20-14/h6-9,12H,2-5,10H2,1H3,(H2,17,18,19)/b11-9+
InChIKeyUSCKPGXRXOSKOF-PKNBQFBNSA-N
MW288.35 g/mol
LogP3.63
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea

1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea (PubChem CID 108914073) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
PubChem CID108914073
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C16H20N2O3/c1-11(12-4-2-3-5-12)9-17-16(19)18-13-6-7-14-15(8-13)21-10-20-14/h6-9,12H,2-5,10H2,1H3,(H2,17,18,19)/b11-9+
InChIKeyUSCKPGXRXOSKOF-PKNBQFBNSA-N
XLogP3.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzoic acid
CID 108913800
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 18127481
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
CID 51301770
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
1-(1,3-benzodioxol-5-yl)-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779230
(3R)-N-(1,3-benzodioxol-5-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447151
1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea
CID 47141802
1-(1,3-benzodioxol-5-yl)-3-(cyclopropylmethyl)urea
CID 47152145
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea (CID 108914073) is 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea is C/C(=C\NC(=O)Nc1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The InChIKey is USCKPGXRXOSKOF-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(12-4-2-3-5-12)9-17-16(19)18-13-6-7-14-15(8-13)21-10-20-14/h6-9,12H,2-5,10H2,1H3,(H2,17,18,19)/b11-9+.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea has a molecular weight of 288.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea is sourced from PubChem (CID 108914073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).