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

C16H21ClN2O — CID 145320368

IUPAC2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESC/C=C(\C=C/CCl)C(C)N1CCn2ccc(=O)cc2C1
InChIInChI=1S/C16H21ClN2O/c1-3-14(5-4-7-17)13(2)19-10-9-18-8-6-16(20)11-15(18)12-19/h3-6,8,11,13H,7,9-10,12H2,1-2H3/b5-4-,14-3+
InChIKeyPVWPQLVLEVEYTF-QVQLBOQVSA-N
MW292.81 g/mol
LogP2.79
Rot. Bonds4

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

2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 145320368) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID145320368
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESC/C=C(\C=C/CCl)C(C)N1CCn2ccc(=O)cc2C1
InChIInChI=1S/C16H21ClN2O/c1-3-14(5-4-7-17)13(2)19-10-9-18-8-6-16(20)11-15(18)12-19/h3-6,8,11,13H,7,9-10,12H2,1-2H3/b5-4-,14-3+
InChIKeyPVWPQLVLEVEYTF-QVQLBOQVSA-N
XLogP2.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 145320368) is 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is C/C=C(\C=C/CCl)C(C)N1CCn2ccc(=O)cc2C1.
What is the InChIKey of 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is PVWPQLVLEVEYTF-QVQLBOQVSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-14(5-4-7-17)13(2)19-10-9-18-8-6-16(20)11-15(18)12-19/h3-6,8,11,13H,7,9-10,12H2,1-2H3/b5-4-,14-3+.
What are the key properties of 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 292.81 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 145320368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).