cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid

C13H18N2O2 — CID 159033782

IUPACcyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid
SMILESC1CC1.O=C(O)NN1CCc2ccccc2C1
InChIInChI=1S/C10H12N2O2.C3H6/c13-10(14)11-12-6-5-8-3-1-2-4-9(8)7-12;1-2-3-1/h1-4,11H,5-7H2,(H,13,14);1-3H2
InChIKeyJVEZDYJHRAYIRQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.40
Rot. Bonds1

About cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid

cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid (PubChem CID 159033782) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid.

Molecular Properties

Compound Namecyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid
PubChem CID159033782
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namecyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid
SMILESC1CC1.O=C(O)NN1CCc2ccccc2C1
InChIInChI=1S/C10H12N2O2.C3H6/c13-10(14)11-12-6-5-8-3-1-2-4-9(8)7-12;1-2-3-1/h1-4,11H,5-7H2,(H,13,14);1-3H2
InChIKeyJVEZDYJHRAYIRQ-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate
CID 10270611
3,4-dihydro-2H-quinolin-1-ylcarbamic acid
CID 67189387
ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 171627514
N-(1,3-dihydroisoindol-2-yl)benzamide
CID 3118896
2-(3,4-dihydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63067209
azepan-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 116656264
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108505977
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108525679
N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108508045

Frequently Asked Questions

What is the IUPAC name of cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid?
The IUPAC name of cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid (CID 159033782) is cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid.
What is the SMILES notation for cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid?
The canonical SMILES for cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid is C1CC1.O=C(O)NN1CCc2ccccc2C1.
What is the InChIKey of cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid?
The InChIKey is JVEZDYJHRAYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C3H6/c13-10(14)11-12-6-5-8-3-1-2-4-9(8)7-12;1-2-3-1/h1-4,11H,5-7H2,(H,13,14);1-3H2.
What are the key properties of cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid?
cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid has a molecular weight of 234.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid is sourced from PubChem (CID 159033782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).