(3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole

C10H12BrN — CID 168924796

IUPAC(3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole
SMILESC=C/C(Br)=c1/c(CC)c[nH]c1=C
InChIInChI=1S/C10H12BrN/c1-4-8-6-12-7(3)10(8)9(11)5-2/h5-6,12H,2-4H2,1H3/b10-9-
InChIKeyFROIHNZRIMIRNE-KTKRTIGZSA-N
MW226.12 g/mol
LogP1.68
Rot. Bonds2

About (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole

(3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole (PubChem CID 168924796) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole
PubChem CID168924796
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole
SMILESC=C/C(Br)=c1/c(CC)c[nH]c1=C
InChIInChI=1S/C10H12BrN/c1-4-8-6-12-7(3)10(8)9(11)5-2/h5-6,12H,2-4H2,1H3/b10-9-
InChIKeyFROIHNZRIMIRNE-KTKRTIGZSA-N
XLogP1.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol
CID 143794576
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
(3E)-3-[1-(2-chloro-4-ethylphenyl)prop-2-enylidene]-2-methylidene-1H-pyrrole
CID 162435094
(3E)-3-[1-(2-chloro-4-ethylphenyl)prop-2-enylidene]-2-methylidene-1H-pyrrole;ethane
CID 162435093
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
5-ethyl-3-hydroxy-2-methyl-1H-pyridin-4-one
CID 21329341
ruthenium;2,3,4-triethyl-1H-pyrrole
CID 174581947
5-bromo-3-ethyl-7-prop-1-en-2-yl-1H-indole
CID 134241010
1-(2,4,6-triethylphenyl)prop-2-en-1-one
CID 103522560

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole?
The IUPAC name of (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole (CID 168924796) is (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole?
The canonical SMILES for (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole is C=C/C(Br)=c1/c(CC)c[nH]c1=C.
What is the InChIKey of (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole?
The InChIKey is FROIHNZRIMIRNE-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H12BrN/c1-4-8-6-12-7(3)10(8)9(11)5-2/h5-6,12H,2-4H2,1H3/b10-9-.
What are the key properties of (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole?
(3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole has a molecular weight of 226.12 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-bromoprop-2-enylidene)-4-ethyl-2-methylidene-1H-pyrrole is sourced from PubChem (CID 168924796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).