2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one

C10H17NO — CID 20704196

IUPAC2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
SMILESC=C1CCCN1C(=O)C(C)CC
InChIInChI=1S/C10H17NO/c1-4-8(2)10(12)11-7-5-6-9(11)3/h8H,3-7H2,1-2H3
InChIKeyQPEZXCKWJIULHD-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.17
Rot. Bonds2

About 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one

2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one (PubChem CID 20704196) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
PubChem CID20704196
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
SMILESC=C1CCCN1C(=O)C(C)CC
InChIInChI=1S/C10H17NO/c1-4-8(2)10(12)11-7-5-6-9(11)3/h8H,3-7H2,1-2H3
InChIKeyQPEZXCKWJIULHD-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one (CID 20704196) is 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one is C=C1CCCN1C(=O)C(C)CC.
What is the InChIKey of 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one?
The InChIKey is QPEZXCKWJIULHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-8(2)10(12)11-7-5-6-9(11)3/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one?
2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one has a molecular weight of 167.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 20704196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).