3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile

C20H15N3 — CID 91117465

IUPAC3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile
SMILESC=C1C(c2cccc(C#N)c2)=NC2=C1CC(c1ccccn1)C2
InChIInChI=1S/C20H15N3/c1-13-17-10-16(18-7-2-3-8-22-18)11-19(17)23-20(13)15-6-4-5-14(9-15)12-21/h2-9,16H,1,10-11H2
InChIKeySMFVAQGARBLFPC-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.14
Rot. Bonds2

About 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile

3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile (PubChem CID 91117465) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile
PubChem CID91117465
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile
SMILESC=C1C(c2cccc(C#N)c2)=NC2=C1CC(c1ccccn1)C2
InChIInChI=1S/C20H15N3/c1-13-17-10-16(18-7-2-3-8-22-18)11-19(17)23-20(13)15-6-4-5-14(9-15)12-21/h2-9,16H,1,10-11H2
InChIKeySMFVAQGARBLFPC-UHFFFAOYSA-N
XLogP4.14
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile?
The IUPAC name of 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile (CID 91117465) is 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile.
What is the SMILES notation for 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile?
The canonical SMILES for 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile is C=C1C(c2cccc(C#N)c2)=NC2=C1CC(c1ccccn1)C2.
What is the InChIKey of 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile?
The InChIKey is SMFVAQGARBLFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-13-17-10-16(18-7-2-3-8-22-18)11-19(17)23-20(13)15-6-4-5-14(9-15)12-21/h2-9,16H,1,10-11H2.
What are the key properties of 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile?
3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile has a molecular weight of 297.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylidene-5-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl)benzonitrile is sourced from PubChem (CID 91117465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).