3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol

C17H26N2O — CID 134174365

IUPAC3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol
SMILESC=CC1CCCN1CCC(O)C1CCNC2=C1C=CC2
InChIInChI=1S/C17H26N2O/c1-2-13-5-4-11-19(13)12-9-17(20)15-8-10-18-16-7-3-6-14(15)16/h2-3,6,13,15,17-18,20H,1,4-5,7-12H2
InChIKeyUJYNVBJEPKULGP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.21
Rot. Bonds5

About 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol

3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol (PubChem CID 134174365) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol
PubChem CID134174365
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol
SMILESC=CC1CCCN1CCC(O)C1CCNC2=C1C=CC2
InChIInChI=1S/C17H26N2O/c1-2-13-5-4-11-19(13)12-9-17(20)15-8-10-18-16-7-3-6-14(15)16/h2-3,6,13,15,17-18,20H,1,4-5,7-12H2
InChIKeyUJYNVBJEPKULGP-UHFFFAOYSA-N
XLogP2.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol?
The IUPAC name of 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol (CID 134174365) is 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol is C=CC1CCCN1CCC(O)C1CCNC2=C1C=CC2.
What is the InChIKey of 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol?
The InChIKey is UJYNVBJEPKULGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-5-4-11-19(13)12-9-17(20)15-8-10-18-16-7-3-6-14(15)16/h2-3,6,13,15,17-18,20H,1,4-5,7-12H2.
What are the key properties of 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol?
3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenylpyrrolidin-1-yl)-1-(2,3,4,7-tetrahydro-1H-cyclopenta[b]pyridin-4-yl)propan-1-ol is sourced from PubChem (CID 134174365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).