2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H19N3O — CID 103339000

IUPAC2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESC=CCN(CCOC)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H19N3O/c1-3-7-18(8-9-19-2)15-13(11-16)10-12-5-4-6-14(12)17-15/h3,10H,1,4-9H2,2H3
InChIKeyFLBJNUBJTFGWHU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.08
Rot. Bonds6

About 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 103339000) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID103339000
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESC=CCN(CCOC)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H19N3O/c1-3-7-18(8-9-19-2)15-13(11-16)10-12-5-4-6-14(12)17-15/h3,10H,1,4-9H2,2H3
InChIKeyFLBJNUBJTFGWHU-UHFFFAOYSA-N
XLogP2.08
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 103339000) is 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C=CCN(CCOC)c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is FLBJNUBJTFGWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-7-18(8-9-19-2)15-13(11-16)10-12-5-4-6-14(12)17-15/h3,10H,1,4-9H2,2H3.
What are the key properties of 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 103339000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).