3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole

C14H11ClN2O — CID 135465454

IUPAC3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole
SMILESC/C(=C1\C=CC=N1)c1ccc(-c2[nH]ccc2Cl)o1
InChIInChI=1S/C14H11ClN2O/c1-9(11-3-2-7-16-11)12-4-5-13(18-12)14-10(15)6-8-17-14/h2-8,17H,1H3/b11-9-
InChIKeyVWJRWXBCKCWRBQ-LUAWRHEFSA-N
MW258.71 g/mol
LogP4.30
Rot. Bonds2

About 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole

3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole (PubChem CID 135465454) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole
PubChem CID135465454
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole
SMILESC/C(=C1\C=CC=N1)c1ccc(-c2[nH]ccc2Cl)o1
InChIInChI=1S/C14H11ClN2O/c1-9(11-3-2-7-16-11)12-4-5-13(18-12)14-10(15)6-8-17-14/h2-8,17H,1H3/b11-9-
InChIKeyVWJRWXBCKCWRBQ-LUAWRHEFSA-N
XLogP4.30
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole?
The IUPAC name of 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole (CID 135465454) is 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole.
What is the SMILES notation for 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole?
The canonical SMILES for 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole is C/C(=C1\C=CC=N1)c1ccc(-c2[nH]ccc2Cl)o1.
What is the InChIKey of 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole?
The InChIKey is VWJRWXBCKCWRBQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9(11-3-2-7-16-11)12-4-5-13(18-12)14-10(15)6-8-17-14/h2-8,17H,1H3/b11-9-.
What are the key properties of 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole?
3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole has a molecular weight of 258.71 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole is sourced from PubChem (CID 135465454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).