cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C13H15NO — CID 116610491

IUPACcyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)C1CC1
InChIInChI=1S/C13H15NO/c15-13(9-6-7-9)11-3-1-5-12-10(11)4-2-8-14-12/h1,3,5,9,14H,2,4,6-8H2
InChIKeySTUZFVDCPCMRDO-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.64
Rot. Bonds2

About cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone

cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 116610491) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID116610491
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Namecyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)C1CC1
InChIInChI=1S/C13H15NO/c15-13(9-6-7-9)11-3-1-5-12-10(11)4-2-8-14-12/h1,3,5,9,14H,2,4,6-8H2
InChIKeySTUZFVDCPCMRDO-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610355
cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 63541879
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610346
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 55126550
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 107217199
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882
1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 62848480
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850061
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849199
N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850263
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 116610491) is cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone is O=C(c1cccc2c1CCCN2)C1CC1.
What is the InChIKey of cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is STUZFVDCPCMRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13(9-6-7-9)11-3-1-5-12-10(11)4-2-8-14-12/h1,3,5,9,14H,2,4,6-8H2.
What are the key properties of cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 201.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 116610491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).