1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea

C14H18N2O2 — CID 75483809

IUPAC1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(NC1CC=CC1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H18N2O2/c17-10-13(11-6-2-1-3-7-11)16-14(18)15-12-8-4-5-9-12/h1-7,12-13,17H,8-10H2,(H2,15,16,18)/t13-/m1/s1
InChIKeyUXVKRLPTRILCRG-CYBMUJFWSA-N
MW246.31 g/mol
LogP1.74
Rot. Bonds4

About 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea

1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 75483809) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID75483809
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(NC1CC=CC1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H18N2O2/c17-10-13(11-6-2-1-3-7-11)16-14(18)15-12-8-4-5-9-12/h1-7,12-13,17H,8-10H2,(H2,15,16,18)/t13-/m1/s1
InChIKeyUXVKRLPTRILCRG-CYBMUJFWSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 110007137
1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211
1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969050
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
CID 124866784
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
CID 110933498
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 75483809) is 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea is O=C(NC1CC=CC1)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is UXVKRLPTRILCRG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-10-13(11-6-2-1-3-7-11)16-14(18)15-12-8-4-5-9-12/h1-7,12-13,17H,8-10H2,(H2,15,16,18)/t13-/m1/s1.
What are the key properties of 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 246.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 75483809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).