1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one

C9H15NO — CID 103970857

IUPAC1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one
SMILESCC(=O)C=C1CC(C)N(C)C1
InChIInChI=1S/C9H15NO/c1-7-4-9(5-8(2)11)6-10(7)3/h5,7H,4,6H2,1-3H3
InChIKeyQXVGEOSYCVOFBZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds1

About 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one

1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one (PubChem CID 103970857) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one.

Molecular Properties

Compound Name1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one
PubChem CID103970857
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one
SMILESCC(=O)C=C1CC(C)N(C)C1
InChIInChI=1S/C9H15NO/c1-7-4-9(5-8(2)11)6-10(7)3/h5,7H,4,6H2,1-3H3
InChIKeyQXVGEOSYCVOFBZ-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(2R,4Z)-4-ethylidene-2-methylpyrrolidin-1-yl]ethanone;1-[(2R,4E)-4-ethylidene-2-methylpyrrolidin-1-yl]ethanone
CID 159519921
1-cyclopentylidenepropan-2-one
CID 4227745
methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate
CID 83847795
1-cyclooctylidenepropan-2-one
CID 12700422
5-acetyl-1-methylpyrrolidin-3-one;ethane
CID 142036222
1-(4-propan-2-ylcyclohexylidene)propan-2-one
CID 103970926
1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one
CID 103970892
(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 92954178
4-(cyanomethylidene)-2-methylpyrrolidine-1-carboxylic acid
CID 175594227
(1Z)-1-[3-(trifluoromethyl)cyclohexylidene]propan-2-one
CID 103970989
(2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl) hydrogen carbonate
CID 69042192
1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylidene)propan-2-one
CID 103970906

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one?
The IUPAC name of 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one (CID 103970857) is 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one.
What is the SMILES notation for 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one?
The canonical SMILES for 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one is CC(=O)C=C1CC(C)N(C)C1.
What is the InChIKey of 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one?
The InChIKey is QXVGEOSYCVOFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-9(5-8(2)11)6-10(7)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one?
1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one is sourced from PubChem (CID 103970857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).