2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one

C13H24N2O — CID 170955387

IUPAC2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESC=CN(C)C(C(=O)N1CCCC1C)C(C)C
InChIInChI=1S/C13H24N2O/c1-6-14(5)12(10(2)3)13(16)15-9-7-8-11(15)4/h6,10-12H,1,7-9H2,2-5H3
InChIKeyWSKSJRYBPDWSQS-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.10
Rot. Bonds4

About 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one

2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 170955387) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
PubChem CID170955387
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESC=CN(C)C(C(=O)N1CCCC1C)C(C)C
InChIInChI=1S/C13H24N2O/c1-6-14(5)12(10(2)3)13(16)15-9-7-8-11(15)4/h6,10-12H,1,7-9H2,2-5H3
InChIKeyWSKSJRYBPDWSQS-UHFFFAOYSA-N
XLogP2.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046
(2Z,4R,5S)-4,5-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]hepta-2,6-dienoic acid
CID 11948265
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 82508742
2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one
CID 143960585
(2Z,5R)-5-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]hepta-2,6-dienoic acid
CID 11948207
3-[(2-methylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 61208618
2-(ethylamino)-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142517218

Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (CID 170955387) is 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is C=CN(C)C(C(=O)N1CCCC1C)C(C)C.
What is the InChIKey of 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is WSKSJRYBPDWSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-14(5)12(10(2)3)13(16)15-9-7-8-11(15)4/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 224.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 170955387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).