4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine

C12H16N2 — CID 144715193

IUPAC4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
SMILESC=Cc1[nH]cc(CCC(=C)N)c1C=C
InChIInChI=1S/C12H16N2/c1-4-11-10(7-6-9(3)13)8-14-12(11)5-2/h4-5,8,14H,1-3,6-7,13H2
InChIKeyZEFPEIUJZWHQKA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.71
Rot. Bonds5

About 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine

4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine (PubChem CID 144715193) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine.

Molecular Properties

Compound Name4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
PubChem CID144715193
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
SMILESC=Cc1[nH]cc(CCC(=C)N)c1C=C
InChIInChI=1S/C12H16N2/c1-4-11-10(7-6-9(3)13)8-14-12(11)5-2/h4-5,8,14H,1-3,6-7,13H2
InChIKeyZEFPEIUJZWHQKA-UHFFFAOYSA-N
XLogP2.71
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one
CID 145421398
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
CID 143749630
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
3-(7-ethenyl-1H-indol-3-yl)propanoic acid
CID 126584246
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole
CID 145088276
2-ethenyl-3,4-dimethyl-1H-pyrrole
CID 144990960
2-[2-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]ethyl-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]amino]acetonitrile
CID 145233741
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 144556832

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine?
The IUPAC name of 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine (CID 144715193) is 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine.
What is the SMILES notation for 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine?
The canonical SMILES for 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine is C=Cc1[nH]cc(CCC(=C)N)c1C=C.
What is the InChIKey of 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine?
The InChIKey is ZEFPEIUJZWHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-11-10(7-6-9(3)13)8-14-12(11)5-2/h4-5,8,14H,1-3,6-7,13H2.
What are the key properties of 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine?
4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine is sourced from PubChem (CID 144715193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).