(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one

C12H21NO — CID 139455843

IUPAC(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one
SMILESC=C1C[C@H](C(CC)CC)C(=O)N1CC
InChIInChI=1S/C12H21NO/c1-5-10(6-2)11-8-9(4)13(7-3)12(11)14/h10-11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyFWBQDMLYZQDXTH-LLVKDONJSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds4

About (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one

(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one (PubChem CID 139455843) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one
PubChem CID139455843
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one
SMILESC=C1C[C@H](C(CC)CC)C(=O)N1CC
InChIInChI=1S/C12H21NO/c1-5-10(6-2)11-8-9(4)13(7-3)12(11)14/h10-11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyFWBQDMLYZQDXTH-LLVKDONJSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one (CID 139455843) is (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one is C=C1C[C@H](C(CC)CC)C(=O)N1CC.
What is the InChIKey of (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one?
The InChIKey is FWBQDMLYZQDXTH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-10(6-2)11-8-9(4)13(7-3)12(11)14/h10-11H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one?
(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 139455843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).