(1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one

C25H32N2O — CID 167066647

IUPAC(1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one
SMILESC=Cc1cn2c(cc1=O)/C(=c1\cccc(CCC)c1=C)N(C)CC2C(C)(C)C
InChIInChI=1S/C25H32N2O/c1-8-11-19-12-10-13-20(17(19)3)24-21-14-22(28)18(9-2)15-27(21)23(16-26(24)7)25(4,5)6/h9-10,12-15,23H,2-3,8,11,16H2,1,4-7H3/b24-20-
InChIKeyLOTMLFUKGNYDDW-GFMRDNFCSA-N
MW376.54 g/mol
LogP3.54
Rot. Bonds3

About (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one

(1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one (PubChem CID 167066647) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name(1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one
PubChem CID167066647
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name(1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one
SMILESC=Cc1cn2c(cc1=O)/C(=c1\cccc(CCC)c1=C)N(C)CC2C(C)(C)C
InChIInChI=1S/C25H32N2O/c1-8-11-19-12-10-13-20(17(19)3)24-21-14-22(28)18(9-2)15-27(21)23(16-26(24)7)25(4,5)6/h9-10,12-15,23H,2-3,8,11,16H2,1,4-7H3/b24-20-
InChIKeyLOTMLFUKGNYDDW-GFMRDNFCSA-N
XLogP3.54
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one?
The IUPAC name of (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one (CID 167066647) is (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one is C=Cc1cn2c(cc1=O)/C(=c1\cccc(CCC)c1=C)N(C)CC2C(C)(C)C.
What is the InChIKey of (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one?
The InChIKey is LOTMLFUKGNYDDW-GFMRDNFCSA-N. The full InChI is InChI=1S/C25H32N2O/c1-8-11-19-12-10-13-20(17(19)3)24-21-14-22(28)18(9-2)15-27(21)23(16-26(24)7)25(4,5)6/h9-10,12-15,23H,2-3,8,11,16H2,1,4-7H3/b24-20-.
What are the key properties of (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one?
(1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one has a molecular weight of 376.54 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-tert-butyl-7-ethenyl-2-methyl-1-(6-methylidene-5-propylcyclohexa-2,4-dien-1-ylidene)-3,4-dihydropyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 167066647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).