N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide

C17H23N3O2 — CID 131663860

IUPACN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide
SMILESC=CCn1c2c(ccc1=O)CC(NC(=O)N1CCCC1)CC2
InChIInChI=1S/C17H23N3O2/c1-2-9-20-15-7-6-14(12-13(15)5-8-16(20)21)18-17(22)19-10-3-4-11-19/h2,5,8,14H,1,3-4,6-7,9-12H2,(H,18,22)
InChIKeyHNDBJNHKAONTLU-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.70
Rot. Bonds3

About N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide

N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide (PubChem CID 131663860) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide
PubChem CID131663860
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide
SMILESC=CCn1c2c(ccc1=O)CC(NC(=O)N1CCCC1)CC2
InChIInChI=1S/C17H23N3O2/c1-2-9-20-15-7-6-14(12-13(15)5-8-16(20)21)18-17(22)19-10-3-4-11-19/h2,5,8,14H,1,3-4,6-7,9-12H2,(H,18,22)
InChIKeyHNDBJNHKAONTLU-UHFFFAOYSA-N
XLogP1.70
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide (CID 131663860) is N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide is C=CCn1c2c(ccc1=O)CC(NC(=O)N1CCCC1)CC2.
What is the InChIKey of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is HNDBJNHKAONTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-9-20-15-7-6-14(12-13(15)5-8-16(20)21)18-17(22)19-10-3-4-11-19/h2,5,8,14H,1,3-4,6-7,9-12H2,(H,18,22).
What are the key properties of N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide?
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 131663860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).