N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide

C11H18N2O — CID 177202358

IUPACN-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide
SMILESC=C/C(C)=N/C(=C\C)CNC(=O)CC
InChIInChI=1S/C11H18N2O/c1-5-9(4)13-10(6-2)8-12-11(14)7-3/h5-6H,1,7-8H2,2-4H3,(H,12,14)/b10-6-,13-9+
InChIKeyHKDHFFGKLRNQJF-YQTIHFHPSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds5

About N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide

N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide (PubChem CID 177202358) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide.

Molecular Properties

Compound NameN-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide
PubChem CID177202358
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide
SMILESC=C/C(C)=N/C(=C\C)CNC(=O)CC
InChIInChI=1S/C11H18N2O/c1-5-9(4)13-10(6-2)8-12-11(14)7-3/h5-6H,1,7-8H2,2-4H3,(H,12,14)/b10-6-,13-9+
InChIKeyHKDHFFGKLRNQJF-YQTIHFHPSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
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-prop-2-enylazete-2-carboxamide
CID 57230834
2,5-Dimethyl-3-methylidene-1,2-dihydropyrazin-6-one
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2-(but-3-en-2-ylideneamino)-N-propylacetamide
CID 123402459
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
(E)-4-(2-acetamidoethylamino)-2-ethenylimino-N-(3-methylbut-3-en-2-yl)pent-3-enamide
CID 132032659
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide
CID 143114264
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
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
N-(azetidin-3-yl)-2-[(Z)-prop-1-enyl]iminobut-3-enamide
CID 144471002

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide?
The IUPAC name of N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide (CID 177202358) is N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide.
What is the SMILES notation for N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide?
The canonical SMILES for N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide is C=C/C(C)=N/C(=C\C)CNC(=O)CC.
What is the InChIKey of N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide?
The InChIKey is HKDHFFGKLRNQJF-YQTIHFHPSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-9(4)13-10(6-2)8-12-11(14)7-3/h5-6H,1,7-8H2,2-4H3,(H,12,14)/b10-6-,13-9+.
What are the key properties of N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide?
N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide has a molecular weight of 194.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide is sourced from PubChem (CID 177202358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).