ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide

C11H20N2O — CID 143158253

IUPACethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
SMILESC=C/C=N/C(=C)CNC(=O)CC.CC
InChIInChI=1S/C9H14N2O.C2H6/c1-4-6-10-8(3)7-11-9(12)5-2;1-2/h4,6H,1,3,5,7H2,2H3,(H,11,12);1-2H3/b10-6+;
InChIKeyNDRUAFIWMGMNRU-AAGWESIMSA-N
MW196.29 g/mol
LogP2.31
Rot. Bonds5

About ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide

ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide (PubChem CID 143158253) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide.

Molecular Properties

Compound Nameethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
PubChem CID143158253
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
SMILESC=C/C=N/C(=C)CNC(=O)CC.CC
InChIInChI=1S/C9H14N2O.C2H6/c1-4-6-10-8(3)7-11-9(12)5-2;1-2/h4,6H,1,3,5,7H2,2H3,(H,11,12);1-2H3/b10-6+;
InChIKeyNDRUAFIWMGMNRU-AAGWESIMSA-N
XLogP2.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.31
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;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide?
The IUPAC name of ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide (CID 143158253) is ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide.
What is the SMILES notation for ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide?
The canonical SMILES for ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide is C=C/C=N/C(=C)CNC(=O)CC.CC.
What is the InChIKey of ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide?
The InChIKey is NDRUAFIWMGMNRU-AAGWESIMSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-4-6-10-8(3)7-11-9(12)5-2;1-2/h4,6H,1,3,5,7H2,2H3,(H,11,12);1-2H3/b10-6+;.
What are the key properties of ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide?
ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide has a molecular weight of 196.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide is sourced from PubChem (CID 143158253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).