1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one

C13H21NO — CID 165379522

IUPAC1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(=C(C)C)C1=C(C)C
InChIInChI=1S/C13H21NO/c1-6-12(15)14-8-7-11(9(2)3)13(14)10(4)5/h6-8H2,1-5H3
InChIKeyWYYGBSGICGNNSK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.26
Rot. Bonds1

About 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one

1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one (PubChem CID 165379522) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one
PubChem CID165379522
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(=C(C)C)C1=C(C)C
InChIInChI=1S/C13H21NO/c1-6-12(15)14-8-7-11(9(2)3)13(14)10(4)5/h6-8H2,1-5H3
InChIKeyWYYGBSGICGNNSK-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-3,4,5,6-tetramethylpyridin-2-one
CID 22093020
1-Methyl-5-propan-2-ylidenepyrrolidin-2-one
CID 53878659
1-(2-Propan-2-ylidenepyrrolidin-1-yl)ethanone
CID 58322144
5-Cyclopropylidene-1-methyl-4-methylidenepyrrolidin-2-one
CID 89230196
1-(2,5,5-Trimethylhex-2-en-3-yl)pyrrolidin-2-one
CID 89450246
1-[5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydropyrrol-1-yl]-2-methylpropan-1-one
CID 89468908
ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 142450288
4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one
CID 142586482
1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one
CID 143082085
1-[4,5-Bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone
CID 143484925
5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 143617851
ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 143818774

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one (CID 165379522) is 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(=C(C)C)C1=C(C)C.
What is the InChIKey of 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one?
The InChIKey is WYYGBSGICGNNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-12(15)14-8-7-11(9(2)3)13(14)10(4)5/h6-8H2,1-5H3.
What are the key properties of 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one?
1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one has a molecular weight of 207.32 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 165379522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).