2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine

C13H17N3 — CID 167098639

IUPAC2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESC=C(C1=CC2C=CN=CC2N1)N1CCCC1
InChIInChI=1S/C13H17N3/c1-10(16-6-2-3-7-16)12-8-11-4-5-14-9-13(11)15-12/h4-5,8-9,11,13,15H,1-3,6-7H2
InChIKeyHAQJJNHFKZHZKF-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.67
Rot. Bonds2

About 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine

2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 167098639) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
PubChem CID167098639
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESC=C(C1=CC2C=CN=CC2N1)N1CCCC1
InChIInChI=1S/C13H17N3/c1-10(16-6-2-3-7-16)12-8-11-4-5-14-9-13(11)15-12/h4-5,8-9,11,13,15H,1-3,6-7H2
InChIKeyHAQJJNHFKZHZKF-UHFFFAOYSA-N
XLogP1.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine (CID 167098639) is 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine is C=C(C1=CC2C=CN=CC2N1)N1CCCC1.
What is the InChIKey of 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is HAQJJNHFKZHZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(16-6-2-3-7-16)12-8-11-4-5-14-9-13(11)15-12/h4-5,8-9,11,13,15H,1-3,6-7H2.
What are the key properties of 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 215.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-1-ylethenyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 167098639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).