3-(2H-pyrrol-2-yl)-3,4-dihydropyridine

C9H10N2 — CID 143230378

IUPAC3-(2H-pyrrol-2-yl)-3,4-dihydropyridine
SMILESC1=CC(C2C=NC=CC2)N=C1
InChIInChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-2,4-9H,3H2
InChIKeySBGZTRBTOSMJSC-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.60
Rot. Bonds1

About 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine

3-(2H-pyrrol-2-yl)-3,4-dihydropyridine (PubChem CID 143230378) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name3-(2H-pyrrol-2-yl)-3,4-dihydropyridine
PubChem CID143230378
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-(2H-pyrrol-2-yl)-3,4-dihydropyridine
SMILESC1=CC(C2C=NC=CC2)N=C1
InChIInChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-2,4-9H,3H2
InChIKeySBGZTRBTOSMJSC-UHFFFAOYSA-N
XLogP1.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine?
The IUPAC name of 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine (CID 143230378) is 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine.
What is the SMILES notation for 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine?
The canonical SMILES for 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine is C1=CC(C2C=NC=CC2)N=C1.
What is the InChIKey of 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine?
The InChIKey is SBGZTRBTOSMJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-2,4-9H,3H2.
What are the key properties of 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine?
3-(2H-pyrrol-2-yl)-3,4-dihydropyridine has a molecular weight of 146.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyrrol-2-yl)-3,4-dihydropyridine is sourced from PubChem (CID 143230378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).