2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C20H30N2O — CID 145320375

IUPAC2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESC/C=C(\C=C/CC)C(CCCC)N1CCn2ccc(=O)cc2C1
InChIInChI=1S/C20H30N2O/c1-4-7-9-17(6-3)20(10-8-5-2)22-14-13-21-12-11-19(23)15-18(21)16-22/h6-7,9,11-12,15,20H,4-5,8,10,13-14,16H2,1-3H3/b9-7-,17-6+
InChIKeySAWLRZLVOVLCOZ-FJGJKEDSSA-N
MW314.47 g/mol
LogP4.14
Rot. Bonds7

About 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 145320375) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID145320375
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESC/C=C(\C=C/CC)C(CCCC)N1CCn2ccc(=O)cc2C1
InChIInChI=1S/C20H30N2O/c1-4-7-9-17(6-3)20(10-8-5-2)22-14-13-21-12-11-19(23)15-18(21)16-22/h6-7,9,11-12,15,20H,4-5,8,10,13-14,16H2,1-3H3/b9-7-,17-6+
InChIKeySAWLRZLVOVLCOZ-FJGJKEDSSA-N
XLogP4.14
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 145320375) is 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is C/C=C(\C=C/CC)C(CCCC)N1CCn2ccc(=O)cc2C1.
What is the InChIKey of 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is SAWLRZLVOVLCOZ-FJGJKEDSSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-7-9-17(6-3)20(10-8-5-2)22-14-13-21-12-11-19(23)15-18(21)16-22/h6-7,9,11-12,15,20H,4-5,8,10,13-14,16H2,1-3H3/b9-7-,17-6+.
What are the key properties of 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 314.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 145320375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).