(E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile

C15H21N3 — CID 130323885

IUPAC(E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile
SMILESCC1=C(/C=C(\C)C#N)C(C)C(C)C2N(C)C=CN12
InChIInChI=1S/C15H21N3/c1-10(9-16)8-14-11(2)12(3)15-17(5)6-7-18(15)13(14)4/h6-8,11-12,15H,1-5H3/b10-8+
InChIKeyYDFTXQOKRHQELJ-CSKARUKUSA-N
MW243.35 g/mol
LogP3.06
Rot. Bonds1

About (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile

(E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile (PubChem CID 130323885) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile
PubChem CID130323885
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile
SMILESCC1=C(/C=C(\C)C#N)C(C)C(C)C2N(C)C=CN12
InChIInChI=1S/C15H21N3/c1-10(9-16)8-14-11(2)12(3)15-17(5)6-7-18(15)13(14)4/h6-8,11-12,15H,1-5H3/b10-8+
InChIKeyYDFTXQOKRHQELJ-CSKARUKUSA-N
XLogP3.06
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile?
The IUPAC name of (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile (CID 130323885) is (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile?
The canonical SMILES for (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile is CC1=C(/C=C(\C)C#N)C(C)C(C)C2N(C)C=CN12.
What is the InChIKey of (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile?
The InChIKey is YDFTXQOKRHQELJ-CSKARUKUSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(9-16)8-14-11(2)12(3)15-17(5)6-7-18(15)13(14)4/h6-8,11-12,15H,1-5H3/b10-8+.
What are the key properties of (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile?
(E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile has a molecular weight of 243.35 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(1,5,7,8-tetramethyl-8,8a-dihydro-7H-imidazo[1,2-a]pyridin-6-yl)prop-2-enenitrile is sourced from PubChem (CID 130323885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).