1,2,3,4-tetrahydronaphthalen-1-ylurea

C11H14N2O — CID 13037020

IUPAC1,2,3,4-tetrahydronaphthalen-1-ylurea
SMILESNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C11H14N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H3,12,13,14)
InChIKeyPLSFSIDDNZKALV-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.73
Rot. Bonds1

About 1,2,3,4-tetrahydronaphthalen-1-ylurea

1,2,3,4-tetrahydronaphthalen-1-ylurea (PubChem CID 13037020) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-ylurea.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-ylurea
PubChem CID13037020
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-ylurea
SMILESNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C11H14N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H3,12,13,14)
InChIKeyPLSFSIDDNZKALV-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4-tetrahydronaphthalen-1-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Benzylurea
CID 10853
1-Benzyl-3-cyclohexylurea
CID 544877
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253
2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
1-Cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 4079580
N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46475
1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
4-Phenylimidazolidin-2-one
CID 322644
N-(1,2,3,4-Tetrahydro-1-naphthyl)-formamide
CID 4165105

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-ylurea?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-ylurea (CID 13037020) is 1,2,3,4-tetrahydronaphthalen-1-ylurea.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-ylurea?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-ylurea is NC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-ylurea?
The InChIKey is PLSFSIDDNZKALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H3,12,13,14).
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-ylurea?
1,2,3,4-tetrahydronaphthalen-1-ylurea has a molecular weight of 190.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-ylurea is sourced from PubChem (CID 13037020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).