3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

C14H20N2 — CID 142965606

IUPAC3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC/C=C\C=C/c1[nH]c2c(c1C)CCN(C)C2
InChIInChI=1S/C14H20N2/c1-4-5-6-7-13-11(2)12-8-9-16(3)10-14(12)15-13/h4-7,15H,8-10H2,1-3H3/b5-4-,7-6-
InChIKeyKACDIGLJRMLMBK-RZSVFLSASA-N
MW216.33 g/mol
LogP2.90
Rot. Bonds2

About 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 142965606) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID142965606
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC/C=C\C=C/c1[nH]c2c(c1C)CCN(C)C2
InChIInChI=1S/C14H20N2/c1-4-5-6-7-13-11(2)12-8-9-16(3)10-14(12)15-13/h4-7,15H,8-10H2,1-3H3/b5-4-,7-6-
InChIKeyKACDIGLJRMLMBK-RZSVFLSASA-N
XLogP2.90
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 142965606) is 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is C/C=C\C=C/c1[nH]c2c(c1C)CCN(C)C2.
What is the InChIKey of 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is KACDIGLJRMLMBK-RZSVFLSASA-N. The full InChI is InChI=1S/C14H20N2/c1-4-5-6-7-13-11(2)12-8-9-16(3)10-14(12)15-13/h4-7,15H,8-10H2,1-3H3/b5-4-,7-6-.
What are the key properties of 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 216.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 142965606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).