1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea

C15H20N2O — CID 108913957

IUPAC1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
SMILESC/C(=C\NC(=O)Nc1ccccc1)C1CCCC1
InChIInChI=1S/C15H20N2O/c1-12(13-7-5-6-8-13)11-16-15(18)17-14-9-3-2-4-10-14/h2-4,9-11,13H,5-8H2,1H3,(H2,16,17,18)/b12-11+
InChIKeyTXHXCXACIUDBDO-VAWYXSNFSA-N
MW244.34 g/mol
LogP3.90
Rot. Bonds3

About 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea

1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea (PubChem CID 108913957) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
PubChem CID108913957
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
SMILESC/C(=C\NC(=O)Nc1ccccc1)C1CCCC1
InChIInChI=1S/C15H20N2O/c1-12(13-7-5-6-8-13)11-16-15(18)17-14-9-3-2-4-10-14/h2-4,9-11,13H,5-8H2,1H3,(H2,16,17,18)/b12-11+
InChIKeyTXHXCXACIUDBDO-VAWYXSNFSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzoic acid
CID 108913800
1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea
CID 108914026
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,6-difluorophenyl)urea
CID 108913961
2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide
CID 108914030
1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea
CID 108915455
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108914073
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108913872
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
CID 108914116
4-[[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]methyl]benzoic acid
CID 108913960
1-cyclopentyl-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913852
1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea
CID 108914017
1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913903

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea?
The IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea (CID 108913957) is 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea.
What is the SMILES notation for 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea?
The canonical SMILES for 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea is C/C(=C\NC(=O)Nc1ccccc1)C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea?
The InChIKey is TXHXCXACIUDBDO-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(13-7-5-6-8-13)11-16-15(18)17-14-9-3-2-4-10-14/h2-4,9-11,13H,5-8H2,1H3,(H2,16,17,18)/b12-11+.
What are the key properties of 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea?
1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea has a molecular weight of 244.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea is sourced from PubChem (CID 108913957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).