5-methylidene-1-pentan-3-ylpyrrolidin-2-one

C10H17NO — CID 89100562

IUPAC5-methylidene-1-pentan-3-ylpyrrolidin-2-one
SMILESC=C1CCC(=O)N1C(CC)CC
InChIInChI=1S/C10H17NO/c1-4-9(5-2)11-8(3)6-7-10(11)12/h9H,3-7H2,1-2H3
InChIKeyMXHCDSRFSQLDON-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.31
Rot. Bonds3

About 5-methylidene-1-pentan-3-ylpyrrolidin-2-one

5-methylidene-1-pentan-3-ylpyrrolidin-2-one (PubChem CID 89100562) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-methylidene-1-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-1-pentan-3-ylpyrrolidin-2-one
PubChem CID89100562
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-methylidene-1-pentan-3-ylpyrrolidin-2-one
SMILESC=C1CCC(=O)N1C(CC)CC
InChIInChI=1S/C10H17NO/c1-4-9(5-2)11-8(3)6-7-10(11)12/h9H,3-7H2,1-2H3
InChIKeyMXHCDSRFSQLDON-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of 5-methylidene-1-pentan-3-ylpyrrolidin-2-one (CID 89100562) is 5-methylidene-1-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-1-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for 5-methylidene-1-pentan-3-ylpyrrolidin-2-one is C=C1CCC(=O)N1C(CC)CC.
What is the InChIKey of 5-methylidene-1-pentan-3-ylpyrrolidin-2-one?
The InChIKey is MXHCDSRFSQLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(5-2)11-8(3)6-7-10(11)12/h9H,3-7H2,1-2H3.
What are the key properties of 5-methylidene-1-pentan-3-ylpyrrolidin-2-one?
5-methylidene-1-pentan-3-ylpyrrolidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 89100562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).