[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea

C11H14N2O2 — CID 68749271

IUPAC[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
SMILESNC(=O)Nc1cccc2c1C[C@@H](O)CC2
InChIInChI=1S/C11H14N2O2/c12-11(15)13-10-3-1-2-7-4-5-8(14)6-9(7)10/h1-3,8,14H,4-6H2,(H3,12,13,15)/t8-/m0/s1
InChIKeyNMKHNUDOLHJLRH-QMMMGPOBSA-N
MW206.25 g/mol
LogP1.03
Rot. Bonds1

About [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea

[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea (PubChem CID 68749271) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
PubChem CID68749271
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
SMILESNC(=O)Nc1cccc2c1C[C@@H](O)CC2
InChIInChI=1S/C11H14N2O2/c12-11(15)13-10-3-1-2-7-4-5-8(14)6-9(7)10/h1-3,8,14H,4-6H2,(H3,12,13,15)/t8-/m0/s1
InChIKeyNMKHNUDOLHJLRH-QMMMGPOBSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea (CID 68749271) is [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea is NC(=O)Nc1cccc2c1C[C@@H](O)CC2.
What is the InChIKey of [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The InChIKey is NMKHNUDOLHJLRH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-11(15)13-10-3-1-2-7-4-5-8(14)6-9(7)10/h1-3,8,14H,4-6H2,(H3,12,13,15)/t8-/m0/s1.
What are the key properties of [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea has a molecular weight of 206.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 68749271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).