2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one

C9H15NO — CID 116580467

IUPAC2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)C1(C)CCCN1
InChIInChI=1S/C9H15NO/c1-7(2)8(11)9(3)5-4-6-10-9/h10H,1,4-6H2,2-3H3
InChIKeyYFCZISBBMVHFFP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.27
Rot. Bonds2

About 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one

2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one (PubChem CID 116580467) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one
PubChem CID116580467
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)C1(C)CCCN1
InChIInChI=1S/C9H15NO/c1-7(2)8(11)9(3)5-4-6-10-9/h10H,1,4-6H2,2-3H3
InChIKeyYFCZISBBMVHFFP-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide
CID 115747650
2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580438
ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
N-(3-hydroxy-2-methylpropyl)-2-methylpyrrolidine-2-carboxamide
CID 65036100
(2S)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
CID 92614973
2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64702309
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
1-(2-methylpyrrolidin-2-yl)oct-7-en-1-one
CID 107010897
azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
CID 64732817
(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
CID 116580427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one?
The IUPAC name of 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one (CID 116580467) is 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one is C=C(C)C(=O)C1(C)CCCN1.
What is the InChIKey of 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one?
The InChIKey is YFCZISBBMVHFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8(11)9(3)5-4-6-10-9/h10H,1,4-6H2,2-3H3.
What are the key properties of 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one?
2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 116580467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).