1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen

C14H20N2O — CID 142484684

IUPAC1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen
SMILESCN1CC(c2cccc3c2CCCN3)CC1=O.[H][H]
InChIInChI=1S/C14H18N2O.H2/c1-16-9-10(8-14(16)17)11-4-2-6-13-12(11)5-3-7-15-13;/h2,4,6,10,15H,3,5,7-9H2,1H3;1H
InChIKeyVNHDQZWHVUQTGE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.24
Rot. Bonds1

About 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen

1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen (PubChem CID 142484684) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen
PubChem CID142484684
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen
SMILESCN1CC(c2cccc3c2CCCN3)CC1=O.[H][H]
InChIInChI=1S/C14H18N2O.H2/c1-16-9-10(8-14(16)17)11-4-2-6-13-12(11)5-3-7-15-13;/h2,4,6,10,15H,3,5,7-9H2,1H3;1H
InChIKeyVNHDQZWHVUQTGE-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen?
The IUPAC name of 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen (CID 142484684) is 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen.
What is the SMILES notation for 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen?
The canonical SMILES for 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen is CN1CC(c2cccc3c2CCCN3)CC1=O.[H][H].
What is the InChIKey of 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen?
The InChIKey is VNHDQZWHVUQTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.H2/c1-16-9-10(8-14(16)17)11-4-2-6-13-12(11)5-3-7-15-13;/h2,4,6,10,15H,3,5,7-9H2,1H3;1H.
What are the key properties of 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen?
1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen has a molecular weight of 232.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidin-2-one;molecular hydrogen is sourced from PubChem (CID 142484684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).