3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole

C10H10N2 — CID 67416410

IUPAC3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole
SMILESC(=Cc1cc[nH]c1)c1cc[nH]c1
InChIInChI=1S/C10H10N2/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h1-8,11-12H
InChIKeyBGOYARJRXAFSJL-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.51
Rot. Bonds2

About 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole

3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole (PubChem CID 67416410) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole
PubChem CID67416410
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole
SMILESC(=Cc1cc[nH]c1)c1cc[nH]c1
InChIInChI=1S/C10H10N2/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h1-8,11-12H
InChIKeyBGOYARJRXAFSJL-UHFFFAOYSA-N
XLogP2.51
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1H-Pyrrole, 3-methyl-
CID 12023
(2Z)-2-cyano-3-(1H-pyrrol-3-yl)prop-2-enethioamide
CID 2443006
1H-pyrrol-3-ylmethanamine
CID 23295846
3-Vinylpyrrole
CID 9989218
(2e)-3-(1h-Pyrrol-3-yl)-2-propenamide
CID 11506461
2-(1H-pyrrol-3-yl)ethan-1-amine
CID 13437354
3-(1H-pyrrol-3-yl)prop-2-enamide
CID 72988089
N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 556802
(E)-2-cyano-3-(1H-pyrrol-3-yl)prop-2-enethioamide
CID 2443004
2,4'-Biazole
CID 12280270
1-methylpyrrole;1H-pyrrole
CID 23358564
2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 46234003

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole?
The IUPAC name of 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole (CID 67416410) is 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole.
What is the SMILES notation for 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole?
The canonical SMILES for 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole is C(=Cc1cc[nH]c1)c1cc[nH]c1.
What is the InChIKey of 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole?
The InChIKey is BGOYARJRXAFSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h1-8,11-12H.
What are the key properties of 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole?
3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole has a molecular weight of 158.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrrole is sourced from PubChem (CID 67416410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).