(4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one

C15H19NO — CID 162023012

IUPAC(4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one
SMILESCN1C[C@@H](c2cccc3c2CCCC3)CC1=O
InChIInChI=1S/C15H19NO/c1-16-10-12(9-15(16)17)14-8-4-6-11-5-2-3-7-13(11)14/h4,6,8,12H,2-3,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyPXQDFJIXGVGUAU-LBPRGKRZSA-N
MW229.32 g/mol
LogP2.51
Rot. Bonds1

About (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one

(4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one (PubChem CID 162023012) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one
PubChem CID162023012
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one
SMILESCN1C[C@@H](c2cccc3c2CCCC3)CC1=O
InChIInChI=1S/C15H19NO/c1-16-10-12(9-15(16)17)14-8-4-6-11-5-2-3-7-13(11)14/h4,6,8,12H,2-3,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyPXQDFJIXGVGUAU-LBPRGKRZSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one (CID 162023012) is (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one is CN1C[C@@H](c2cccc3c2CCCC3)CC1=O.
What is the InChIKey of (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one?
The InChIKey is PXQDFJIXGVGUAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO/c1-16-10-12(9-15(16)17)14-8-4-6-11-5-2-3-7-13(11)14/h4,6,8,12H,2-3,5,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one?
(4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 162023012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).