1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C17H22N2O2 — CID 111631432

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C17H22N2O2/c20-11-12-8-9-14(10-12)18-17(21)19-16-7-3-5-13-4-1-2-6-15(13)16/h3,5,7-9,12,14,20H,1-2,4,6,10-11H2,(H2,18,19,21)/t12-,14+/m0/s1
InChIKeyRFHKOPVAVWMRNZ-GXTWGEPZSA-N
MW286.37 g/mol
LogP2.62
Rot. Bonds3

About 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 111631432) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID111631432
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C17H22N2O2/c20-11-12-8-9-14(10-12)18-17(21)19-16-7-3-5-13-4-1-2-6-15(13)16/h3,5,7-9,12,14,20H,1-2,4,6,10-11H2,(H2,18,19,21)/t12-,14+/m0/s1
InChIKeyRFHKOPVAVWMRNZ-GXTWGEPZSA-N
XLogP2.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.62
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

1-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 125174611
1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631440
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 43834022
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264
1-(5-bromo-4-fluoro-2-methylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 99831977
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791578
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 111631432) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(Nc1cccc2c1CCCC2)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is RFHKOPVAVWMRNZ-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-11-12-8-9-14(10-12)18-17(21)19-16-7-3-5-13-4-1-2-6-15(13)16/h3,5,7-9,12,14,20H,1-2,4,6,10-11H2,(H2,18,19,21)/t12-,14+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 286.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 111631432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).