2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole

C12H14N2 — CID 132819412

IUPAC2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
SMILESC/C(=C(\C)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C12H14N2/c1-9(11-5-3-7-13-11)10(2)12-6-4-8-14-12/h3-8,13-14H,1-2H3/b10-9-
InChIKeyAGBJGOWGWOVOBG-KTKRTIGZSA-N
MW186.26 g/mol
LogP3.29
Rot. Bonds2

About 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole

2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole (PubChem CID 132819412) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
PubChem CID132819412
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
SMILESC/C(=C(\C)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C12H14N2/c1-9(11-5-3-7-13-11)10(2)12-6-4-8-14-12/h3-8,13-14H,1-2H3/b10-9-
InChIKeyAGBJGOWGWOVOBG-KTKRTIGZSA-N
XLogP3.29
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one
CID 130953558
sodium 1H-pyrrole-2-carboxylate
CID 23665788
gold(1+);1H-pyrrole-2-carboxylate
CID 175933038
chromium(3+);tris(1H-pyrrole-2-carboxylate)
CID 161170868
N-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
CID 139106045
ethane;2-(1-phenylethenyl)-1H-pyrrole
CID 143466558
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
N'-tert-butyl-1H-pyrrole-2-carboximidamide
CID 137001579
2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone
CID 139244757
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 10198128

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole?
The IUPAC name of 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole (CID 132819412) is 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole is C/C(=C(\C)c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole?
The InChIKey is AGBJGOWGWOVOBG-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H14N2/c1-9(11-5-3-7-13-11)10(2)12-6-4-8-14-12/h3-8,13-14H,1-2H3/b10-9-.
What are the key properties of 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole?
2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole has a molecular weight of 186.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole is sourced from PubChem (CID 132819412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).