1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one

C11H15NO — CID 175602177

IUPAC1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one
SMILESC=CC(=O)C1=C(C2CCCN2C)C1
InChIInChI=1S/C11H15NO/c1-3-11(13)9-7-8(9)10-5-4-6-12(10)2/h3,10H,1,4-7H2,2H3
InChIKeyZLZVNWWMLBEWNQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.54
Rot. Bonds3

About 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one

1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one (PubChem CID 175602177) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one
PubChem CID175602177
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one
SMILESC=CC(=O)C1=C(C2CCCN2C)C1
InChIInChI=1S/C11H15NO/c1-3-11(13)9-7-8(9)10-5-4-6-12(10)2/h3,10H,1,4-7H2,2H3
InChIKeyZLZVNWWMLBEWNQ-UHFFFAOYSA-N
XLogP1.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.54
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

1-(2-methyl-2,7-diazabicyclo[4.2.0]octan-7-yl)prop-2-en-1-one
CID 149059534
3-(1-methylpyrrolidin-2-yl)-1,2,4-thiadiazole-5-carboxylic acid
CID 82394205
1-(1-methyl-3-propylpiperidin-2-yl)prop-2-en-1-one
CID 168877589
4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
CID 115024586
5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 165440213
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
1-(1-methylpyrrolidin-2-yl)ethyl prop-2-enoate
CID 175306856
4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid
CID 165448957
3-[4-[(2R)-1-methylpyrrolidin-2-yl]phenyl]propanamide
CID 142084350
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
CID 139915367
2-hydroxypropanoic acid;2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174226141

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one (CID 175602177) is 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one is C=CC(=O)C1=C(C2CCCN2C)C1.
What is the InChIKey of 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one?
The InChIKey is ZLZVNWWMLBEWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-11(13)9-7-8(9)10-5-4-6-12(10)2/h3,10H,1,4-7H2,2H3.
What are the key properties of 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one?
1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolidin-2-yl)cyclopropen-1-yl]prop-2-en-1-one is sourced from PubChem (CID 175602177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).