1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C12H16N2O — CID 2832740

IUPAC1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C12H16N2O/c1-13-12(15)14-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3,(H2,13,14,15)
InChIKeyBJFLSRMQMPBMDG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.99
Rot. Bonds1

About 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 2832740) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID2832740
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C12H16N2O/c1-13-12(15)14-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3,(H2,13,14,15)
InChIKeyBJFLSRMQMPBMDG-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 2832740) is 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CNC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is BJFLSRMQMPBMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-12(15)14-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3,(H2,13,14,15).
What are the key properties of 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 204.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 2832740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).