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

C18H14N2 — CID 11265392

IUPAC2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
SMILESc1ccc2c(-c3ccc[nH]3)cc(-c3ccc[nH]3)c-2cc1
InChIInChI=1S/C18H14N2/c1-2-6-13-14(7-3-1)16(18-9-5-11-20-18)12-15(13)17-8-4-10-19-17/h1-12,19-20H
InChIKeyJMROBGBGODNPSP-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.78
Rot. Bonds2

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

2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole (PubChem CID 11265392) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
PubChem CID11265392
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
SMILESc1ccc2c(-c3ccc[nH]3)cc(-c3ccc[nH]3)c-2cc1
InChIInChI=1S/C18H14N2/c1-2-6-13-14(7-3-1)16(18-9-5-11-20-18)12-15(13)17-8-4-10-19-17/h1-12,19-20H
InChIKeyJMROBGBGODNPSP-UHFFFAOYSA-N
XLogP4.78
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-bromophenyl)-1H-pyrrole
CID 57266902
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CID 90887214
6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile
CID 162415455
5-(1H-pyrrol-2-yl)naphthalen-1-ol
CID 57034694
2-(2-prop-2-enylphenyl)-1H-pyrrole
CID 173027553
2-(3-chloro-2-fluorophenyl)-1H-pyrrole
CID 137332738
2-(9H-fluoren-2-yl)-1H-pyrrole
CID 21095785
2-[3,8-dimethyl-6-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole
CID 59510151
3-bromo-4-(1H-pyrrol-2-yl)phenol
CID 162412006
2-(1H-pyrrol-2-yl)phenol;2-thiophen-2-ylphenol
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CID 103341539

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole?
The IUPAC name of 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole (CID 11265392) is 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole.
What is the SMILES notation for 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole?
The canonical SMILES for 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole is c1ccc2c(-c3ccc[nH]3)cc(-c3ccc[nH]3)c-2cc1.
What is the InChIKey of 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole?
The InChIKey is JMROBGBGODNPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-6-13-14(7-3-1)16(18-9-5-11-20-18)12-15(13)17-8-4-10-19-17/h1-12,19-20H.
What are the key properties of 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole?
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole has a molecular weight of 258.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole is sourced from PubChem (CID 11265392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).