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

C9H14N2O — CID 143158254

IUPACN-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
SMILESC=C/C=N/C(=C)CNC(=O)CC
InChIInChI=1S/C9H14N2O/c1-4-6-10-8(3)7-11-9(12)5-2/h4,6H,1,3,5,7H2,2H3,(H,11,12)/b10-6+
InChIKeyYBLIJHQMAHCQKJ-UXBLZVDNSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds5

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

N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide (PubChem CID 143158254) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide.

Molecular Properties

Compound NameN-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
PubChem CID143158254
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
SMILESC=C/C=N/C(=C)CNC(=O)CC
InChIInChI=1S/C9H14N2O/c1-4-6-10-8(3)7-11-9(12)5-2/h4,6H,1,3,5,7H2,2H3,(H,11,12)/b10-6+
InChIKeyYBLIJHQMAHCQKJ-UXBLZVDNSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
CID 89156140
N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
CID 123142341
N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
CID 123878230
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide
CID 129060184
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide
CID 141144618
dimethyl-[(2E)-3-(propanoylamino)penta-2,4-dienylidene]azanium
CID 142111301
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
CID 143158206
N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
CID 143158240
ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158253
ethene;N-[(Z)-2-(methylideneamino)but-2-enyl]acetamide
CID 145591985

Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide?
The IUPAC name of N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide (CID 143158254) is N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide.
What is the SMILES notation for N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide?
The canonical SMILES for N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide is C=C/C=N/C(=C)CNC(=O)CC.
What is the InChIKey of N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide?
The InChIKey is YBLIJHQMAHCQKJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-6-10-8(3)7-11-9(12)5-2/h4,6H,1,3,5,7H2,2H3,(H,11,12)/b10-6+.
What are the key properties of N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide?
N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide is sourced from PubChem (CID 143158254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).