2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

C14H22N2 — CID 143591073

IUPAC2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCC/C=C\c1[nH]c2c(c1CC)CCN(C)C2
InChIInChI=1S/C14H22N2/c1-4-6-7-13-11(5-2)12-8-9-16(3)10-14(12)15-13/h6-7,15H,4-5,8-10H2,1-3H3/b7-6-
InChIKeySFUKZRGJAXHDBI-SREVYHEPSA-N
MW218.34 g/mol
LogP2.99
Rot. Bonds3

About 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 143591073) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID143591073
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCC/C=C\c1[nH]c2c(c1CC)CCN(C)C2
InChIInChI=1S/C14H22N2/c1-4-6-7-13-11(5-2)12-8-9-16(3)10-14(12)15-13/h6-7,15H,4-5,8-10H2,1-3H3/b7-6-
InChIKeySFUKZRGJAXHDBI-SREVYHEPSA-N
XLogP2.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 143591073) is 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is CC/C=C\c1[nH]c2c(c1CC)CCN(C)C2.
What is the InChIKey of 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is SFUKZRGJAXHDBI-SREVYHEPSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-6-7-13-11(5-2)12-8-9-16(3)10-14(12)15-13/h6-7,15H,4-5,8-10H2,1-3H3/b7-6-.
What are the key properties of 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 218.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 143591073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).