1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea

C13H18N2O2 — CID 111116927

IUPAC1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC1Cc2ccccc2C1NC(=O)NCCO
InChIInChI=1S/C13H18N2O2/c1-9-8-10-4-2-3-5-11(10)12(9)15-13(17)14-6-7-16/h2-5,9,12,16H,6-8H2,1H3,(H2,14,15,17)
InChIKeyAASLLNYHFMUDGQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.21
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea

1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 111116927) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID111116927
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC1Cc2ccccc2C1NC(=O)NCCO
InChIInChI=1S/C13H18N2O2/c1-9-8-10-4-2-3-5-11(10)12(9)15-13(17)14-6-7-16/h2-5,9,12,16H,6-8H2,1H3,(H2,14,15,17)
InChIKeyAASLLNYHFMUDGQ-UHFFFAOYSA-N
XLogP1.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (CID 111116927) is 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is CC1Cc2ccccc2C1NC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is AASLLNYHFMUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-10-4-2-3-5-11(10)12(9)15-13(17)14-6-7-16/h2-5,9,12,16H,6-8H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 234.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 111116927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).