(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine

C13H20N2 — CID 90774321

IUPAC(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
SMILESC=C/C=C1\C(CC)=NC2CN(C)CCC12
InChIInChI=1S/C13H20N2/c1-4-6-10-11-7-8-15(3)9-13(11)14-12(10)5-2/h4,6,11,13H,1,5,7-9H2,2-3H3/b10-6-
InChIKeyJJLLIBFVAGBDQB-POHAHGRESA-N
MW204.32 g/mol
LogP2.28
Rot. Bonds2

About (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine

(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine (PubChem CID 90774321) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
PubChem CID90774321
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
SMILESC=C/C=C1\C(CC)=NC2CN(C)CCC12
InChIInChI=1S/C13H20N2/c1-4-6-10-11-7-8-15(3)9-13(11)14-12(10)5-2/h4,6,11,13H,1,5,7-9H2,2-3H3/b10-6-
InChIKeyJJLLIBFVAGBDQB-POHAHGRESA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

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CID 90746808
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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine?
The IUPAC name of (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine (CID 90774321) is (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine?
The canonical SMILES for (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine is C=C/C=C1\C(CC)=NC2CN(C)CCC12.
What is the InChIKey of (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine?
The InChIKey is JJLLIBFVAGBDQB-POHAHGRESA-N. The full InChI is InChI=1S/C13H20N2/c1-4-6-10-11-7-8-15(3)9-13(11)14-12(10)5-2/h4,6,11,13H,1,5,7-9H2,2-3H3/b10-6-.
What are the key properties of (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine?
(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90774321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).