(Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine

C20H27N3 — CID 143756251

IUPAC(Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine
SMILESC/C=C(\C=N\CC)C1=CN=C2C(CC3CCCCC3)=NC=CC12
InChIInChI=1S/C20H27N3/c1-3-16(13-21-4-2)18-14-23-20-17(18)10-11-22-19(20)12-15-8-6-5-7-9-15/h3,10-11,13-15,17H,4-9,12H2,1-2H3/b16-3+,21-13+
InChIKeyGYHYHSDSIRMZHO-VGIXHXRSSA-N
MW309.46 g/mol
LogP4.92
Rot. Bonds5

About (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine

(Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine (PubChem CID 143756251) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine
PubChem CID143756251
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name(Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine
SMILESC/C=C(\C=N\CC)C1=CN=C2C(CC3CCCCC3)=NC=CC12
InChIInChI=1S/C20H27N3/c1-3-16(13-21-4-2)18-14-23-20-17(18)10-11-22-19(20)12-15-8-6-5-7-9-15/h3,10-11,13-15,17H,4-9,12H2,1-2H3/b16-3+,21-13+
InChIKeyGYHYHSDSIRMZHO-VGIXHXRSSA-N
XLogP4.92
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine?
The IUPAC name of (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine (CID 143756251) is (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine is C/C=C(\C=N\CC)C1=CN=C2C(CC3CCCCC3)=NC=CC12.
What is the InChIKey of (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine?
The InChIKey is GYHYHSDSIRMZHO-VGIXHXRSSA-N. The full InChI is InChI=1S/C20H27N3/c1-3-16(13-21-4-2)18-14-23-20-17(18)10-11-22-19(20)12-15-8-6-5-7-9-15/h3,10-11,13-15,17H,4-9,12H2,1-2H3/b16-3+,21-13+.
What are the key properties of (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine?
(Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine has a molecular weight of 309.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine is sourced from PubChem (CID 143756251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).