3,4-dihydronaphthalen-1-ylurea

C11H12N2O — CID 142857386

IUPAC3,4-dihydronaphthalen-1-ylurea
SMILESNC(=O)NC1=CCCc2ccccc21
InChIInChI=1S/C11H12N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2,(H3,12,13,14)
InChIKeyLWLDUCYFZSXNBP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.64
Rot. Bonds1

About 3,4-dihydronaphthalen-1-ylurea

3,4-dihydronaphthalen-1-ylurea (PubChem CID 142857386) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,4-dihydronaphthalen-1-ylurea.

Molecular Properties

Compound Name3,4-dihydronaphthalen-1-ylurea
PubChem CID142857386
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3,4-dihydronaphthalen-1-ylurea
SMILESNC(=O)NC1=CCCc2ccccc21
InChIInChI=1S/C11H12N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2,(H3,12,13,14)
InChIKeyLWLDUCYFZSXNBP-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 10176439
benzene;N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 159354733
fluoromethane;N-methyl-3,4-dihydronaphthalen-1-amine
CID 144557544
bis(3,4-dihydronaphthalen-1-yl)methanone
CID 174839163
5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide
CID 2170922
bicyclo[4.1.0]hepta-1,3,5-triene;hydroxyurea
CID 19082332
N'-(8,9-dihydro-7H-benzo[7]annulen-5-yl)-2-hydroxybenzohydrazide
CID 4052654
4-(fluoromethyl)-1,2-dihydronaphthalene
CID 70203270
N-(3,4-dihydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 70271164
2-[2-(3H-inden-1-yl)hydrazinyl]-2-oxoacetamide
CID 2392794
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
2-(3,4-dihydronaphthalen-1-yl)propyl benzoate
CID 12045245

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphthalen-1-ylurea?
The IUPAC name of 3,4-dihydronaphthalen-1-ylurea (CID 142857386) is 3,4-dihydronaphthalen-1-ylurea.
What is the SMILES notation for 3,4-dihydronaphthalen-1-ylurea?
The canonical SMILES for 3,4-dihydronaphthalen-1-ylurea is NC(=O)NC1=CCCc2ccccc21.
What is the InChIKey of 3,4-dihydronaphthalen-1-ylurea?
The InChIKey is LWLDUCYFZSXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2,(H3,12,13,14).
What are the key properties of 3,4-dihydronaphthalen-1-ylurea?
3,4-dihydronaphthalen-1-ylurea has a molecular weight of 188.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphthalen-1-ylurea is sourced from PubChem (CID 142857386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).