[(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea

C13H18N2O — CID 70802421

IUPAC[(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea
SMILESC[C@H](NC(N)=O)C1=CCCC2=C1CCC=C2
InChIInChI=1S/C13H18N2O/c1-9(15-13(14)16)11-8-4-6-10-5-2-3-7-12(10)11/h2,5,8-9H,3-4,6-7H2,1H3,(H3,14,15,16)/t9-/m0/s1
InChIKeyYBJPJUIBAAXCIO-VIFPVBQESA-N
MW218.30 g/mol
LogP2.41
Rot. Bonds2

About [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea

[(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea (PubChem CID 70802421) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea.

Molecular Properties

Compound Name[(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea
PubChem CID70802421
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea
SMILESC[C@H](NC(N)=O)C1=CCCC2=C1CCC=C2
InChIInChI=1S/C13H18N2O/c1-9(15-13(14)16)11-8-4-6-10-5-2-3-7-12(10)11/h2,5,8-9H,3-4,6-7H2,1H3,(H3,14,15,16)/t9-/m0/s1
InChIKeyYBJPJUIBAAXCIO-VIFPVBQESA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea?
The IUPAC name of [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea (CID 70802421) is [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea.
What is the SMILES notation for [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea?
The canonical SMILES for [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea is C[C@H](NC(N)=O)C1=CCCC2=C1CCC=C2.
What is the InChIKey of [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea?
The InChIKey is YBJPJUIBAAXCIO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(15-13(14)16)11-8-4-6-10-5-2-3-7-12(10)11/h2,5,8-9H,3-4,6-7H2,1H3,(H3,14,15,16)/t9-/m0/s1.
What are the key properties of [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea?
[(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea has a molecular weight of 218.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3,4,7,8-tetrahydronaphthalen-1-yl)ethyl]urea is sourced from PubChem (CID 70802421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).