1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one

C14H21NO — CID 163241834

IUPAC1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
SMILESC/C=C\C1=C(/C=C\C)NC(C(=O)C(C)C)C1
InChIInChI=1S/C14H21NO/c1-5-7-11-9-13(14(16)10(3)4)15-12(11)8-6-2/h5-8,10,13,15H,9H2,1-4H3/b7-5-,8-6-
InChIKeyNDAOBNOHOXSQCO-SFECMWDFSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds4

About 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one

1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one (PubChem CID 163241834) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
PubChem CID163241834
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
SMILESC/C=C\C1=C(/C=C\C)NC(C(=O)C(C)C)C1
InChIInChI=1S/C14H21NO/c1-5-7-11-9-13(14(16)10(3)4)15-12(11)8-6-2/h5-8,10,13,15H,9H2,1-4H3/b7-5-,8-6-
InChIKeyNDAOBNOHOXSQCO-SFECMWDFSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
CID 163241797
1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one
CID 163241810
(5S)-5-(2-methylpropanoyl)pyrrolidin-2-one
CID 59969678
(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
CID 166510821
1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane
CID 163241818
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032
2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one
CID 130265533
2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 129290042
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
4,5-bis[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 129180583
methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 126722990
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
CID 90895243

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one (CID 163241834) is 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one is C/C=C\C1=C(/C=C\C)NC(C(=O)C(C)C)C1.
What is the InChIKey of 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one?
The InChIKey is NDAOBNOHOXSQCO-SFECMWDFSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-7-11-9-13(14(16)10(3)4)15-12(11)8-6-2/h5-8,10,13,15H,9H2,1-4H3/b7-5-,8-6-.
What are the key properties of 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one?
1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 163241834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).