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

C10H16N2O — CID 143158206

IUPACN-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
SMILESC=C/C=N/C(=C)CNC(=O)CCC
InChIInChI=1S/C10H16N2O/c1-4-6-10(13)12-8-9(3)11-7-5-2/h5,7H,2-4,6,8H2,1H3,(H,12,13)/b11-7+
InChIKeyYYCWTKSVAUHLKI-YRNVUSSQSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds6

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

N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide (PubChem CID 143158206) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide.

Molecular Properties

Compound NameN-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
PubChem CID143158206
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
SMILESC=C/C=N/C(=C)CNC(=O)CCC
InChIInChI=1S/C10H16N2O/c1-4-6-10(13)12-8-9(3)11-7-5-2/h5,7H,2-4,6,8H2,1H3,(H,12,13)/b11-7+
InChIKeyYYCWTKSVAUHLKI-YRNVUSSQSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
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-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
CID 123142341
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide
CID 129060121
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
CID 143158240
ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158253
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen
CID 144540766
N-(2-aminoethyl)-3-(prop-1-en-2-yliminomethyl)but-3-enamide;ethane;molecular hydrogen
CID 145197652
2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane
CID 145197681
N-[(E)-4-ethenyliminobut-2-en-2-yl]butanamide
CID 146430026
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
CID 163373470
N-(2-amino-4-methyliminobut-2-enyl)acetamide
CID 173960273
N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide
CID 177202358

Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide?
The IUPAC name of N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide (CID 143158206) is N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide.
What is the SMILES notation for N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide?
The canonical SMILES for N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide is C=C/C=N/C(=C)CNC(=O)CCC.
What is the InChIKey of N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide?
The InChIKey is YYCWTKSVAUHLKI-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-10(13)12-8-9(3)11-7-5-2/h5,7H,2-4,6,8H2,1H3,(H,12,13)/b11-7+.
What are the key properties of N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide?
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide has a molecular weight of 180.25 g/mol, XLogP of 1.67, 6 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]butanamide is sourced from PubChem (CID 143158206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).