ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one

C16H26N2O — CID 170970513

IUPACethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one
SMILESC=C(C)/N=C(/C=C\C)c1cc[nH]c(=O)c1.CC.CC
InChIInChI=1S/C12H14N2O.2C2H6/c1-4-5-11(14-9(2)3)10-6-7-13-12(15)8-10;2*1-2/h4-8H,2H2,1,3H3,(H,13,15);2*1-2H3/b5-4-,14-11-;;
InChIKeyWSCNCPIPVALHSP-LYJAGONXSA-N
MW262.40 g/mol
LogP4.33
Rot. Bonds3

About ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one

ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one (PubChem CID 170970513) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one
PubChem CID170970513
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Nameethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one
SMILESC=C(C)/N=C(/C=C\C)c1cc[nH]c(=O)c1.CC.CC
InChIInChI=1S/C12H14N2O.2C2H6/c1-4-5-11(14-9(2)3)10-6-7-13-12(15)8-10;2*1-2/h4-8H,2H2,1,3H3,(H,13,15);2*1-2H3/b5-4-,14-11-;;
InChIKeyWSCNCPIPVALHSP-LYJAGONXSA-N
XLogP4.33
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one?
The IUPAC name of ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one (CID 170970513) is ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one.
What is the SMILES notation for ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one?
The canonical SMILES for ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one is C=C(C)/N=C(/C=C\C)c1cc[nH]c(=O)c1.CC.CC.
What is the InChIKey of ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one?
The InChIKey is WSCNCPIPVALHSP-LYJAGONXSA-N. The full InChI is InChI=1S/C12H14N2O.2C2H6/c1-4-5-11(14-9(2)3)10-6-7-13-12(15)8-10;2*1-2/h4-8H,2H2,1,3H3,(H,13,15);2*1-2H3/b5-4-,14-11-;;.
What are the key properties of ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one?
ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one has a molecular weight of 262.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1H-pyridin-2-one is sourced from PubChem (CID 170970513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).