(1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane

C30H46N2 — CID 142462047

About (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane

(1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane (PubChem CID 142462047) has the molecular formula C30H46N2 and a molecular weight of 434.71 g/mol. Its IUPAC name is (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane.

Molecular Properties

• Compound Name: (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane
• PubChem CID: 142462047
• Molecular Formula: C30H46N2
• Molecular Weight: 434.71 g/mol
• Exact Mass: 434.37
• IUPAC Name: (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane
• SMILES: C=C.C=C(C)C1=CN2C(=CC1=C)/C(=C1\C=CC=C(CCC)C1)NCC2C(C)(C)C.CCC
• InChI: InChI=1S/C25H34N2.C3H8.C2H4/c1-8-10-19-11-9-12-20(14-19)24-22-13-18(4)21(17(2)3)16-27(22)23(15-26-24)25(5,6)7;1-3-2;1-2/h9,11-13,16,23,26H,2,4,8,10,14-15H2,1,3,5-7H3;3H2,1-2H3;1-2H2/b24-20-
• InChIKey: MXJDIPDIOYSREV-NIEDPPGPSA-N
• XLogP: 8.38
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.71
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane?

The IUPAC name of (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane (CID 142462047) is (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane.

What is the SMILES notation for (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane?

The canonical SMILES for (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane is C=C.C=C(C)C1=CN2C(=CC1=C)/C(=C1\C=CC=C(CCC)C1)NCC2C(C)(C)C.CCC.

What is the InChIKey of (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane?

The InChIKey is MXJDIPDIOYSREV-NIEDPPGPSA-N. The full InChI is InChI=1S/C25H34N2.C3H8.C2H4/c1-8-10-19-11-9-12-20(14-19)24-22-13-18(4)21(17(2)3)16-27(22)23(15-26-24)25(5,6)7;1-3-2;1-2/h9,11-13,16,23,26H,2,4,8,10,14-15H2,1,3,5-7H3;3H2,1-2H3;1-2H2/b24-20-;;.

What are the key properties of (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane?

(1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane has a molecular weight of 434.71 g/mol, XLogP of 8.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1E)-4-tert-butyl-8-methylidene-7-prop-1-en-2-yl-1-(5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine;ethene;propane is sourced from PubChem (CID 142462047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).