5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one

C14H19NO — CID 145421398

IUPAC5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one
SMILESC=Cc1c(CCCC(C)=O)c[nH]c1/C=C\C
InChIInChI=1S/C14H19NO/c1-4-7-14-13(5-2)12(10-15-14)9-6-8-11(3)16/h4-5,7,10,15H,2,6,8-9H2,1,3H3/b7-4-
InChIKeyIRYRVQPEMWGYFH-DAXSKMNVSA-N
MW217.31 g/mol
LogP3.60
Rot. Bonds6

About 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one

5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one (PubChem CID 145421398) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one.

Molecular Properties

Compound Name5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one
PubChem CID145421398
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one
SMILESC=Cc1c(CCCC(C)=O)c[nH]c1/C=C\C
InChIInChI=1S/C14H19NO/c1-4-7-14-13(5-2)12(10-15-14)9-6-8-11(3)16/h4-5,7,10,15H,2,6,8-9H2,1,3H3/b7-4-
InChIKeyIRYRVQPEMWGYFH-DAXSKMNVSA-N
XLogP3.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
CID 143749630
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
CID 144715193
4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 89154188
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 144556832
5-phenylpentan-2-one
CID 16701
4-phenylbutan-2-one;prop-1-ene
CID 166128425
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
CID 148521037
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
5-[4-(ethylamino)phenyl]pentan-2-one
CID 71063356

Frequently Asked Questions

What is the IUPAC name of 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one?
The IUPAC name of 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one (CID 145421398) is 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one.
What is the SMILES notation for 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one?
The canonical SMILES for 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one is C=Cc1c(CCCC(C)=O)c[nH]c1/C=C\C.
What is the InChIKey of 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one?
The InChIKey is IRYRVQPEMWGYFH-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-7-14-13(5-2)12(10-15-14)9-6-8-11(3)16/h4-5,7,10,15H,2,6,8-9H2,1,3H3/b7-4-.
What are the key properties of 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one?
5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one is sourced from PubChem (CID 145421398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).