N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide

C15H18N2O — CID 64767021

IUPACN-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)C1CC=CC1
InChIInChI=1S/C15H18N2O/c18-15(11-4-1-2-5-11)17-13-7-8-14-12(10-13)6-3-9-16-14/h1-2,7-8,10-11,16H,3-6,9H2,(H,17,18)
InChIKeyMKVWWAGLDOCJDD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide

N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide (PubChem CID 64767021) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
PubChem CID64767021
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)C1CC=CC1
InChIInChI=1S/C15H18N2O/c18-15(11-4-1-2-5-11)17-13-7-8-14-12(10-13)6-3-9-16-14/h1-2,7-8,10-11,16H,3-6,9H2,(H,17,18)
InChIKeyMKVWWAGLDOCJDD-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxane-3-carboxamide
CID 63012221
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 119547205
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
CID 62698159
N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81479241
5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide
CID 81485613
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
CID 63282573
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119547336
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide (CID 64767021) is N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide is O=C(Nc1ccc2c(c1)CCCN2)C1CC=CC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide?
The InChIKey is MKVWWAGLDOCJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(11-4-1-2-5-11)17-13-7-8-14-12(10-13)6-3-9-16-14/h1-2,7-8,10-11,16H,3-6,9H2,(H,17,18).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide?
N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).