N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide

C8H14N2O — CID 143723816

IUPACN-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide
SMILESC/C=N/C=C\CCNC(C)=O
InChIInChI=1S/C8H14N2O/c1-3-9-6-4-5-7-10-8(2)11/h3-4,6H,5,7H2,1-2H3,(H,10,11)/b6-4-,9-3+
InChIKeyXMODEDPZDCKEOX-ALQLSLDWSA-N
MW154.21 g/mol
LogP1.12
Rot. Bonds4

About N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide

N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide (PubChem CID 143723816) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide
PubChem CID143723816
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide
SMILESC/C=N/C=C\CCNC(C)=O
InChIInChI=1S/C8H14N2O/c1-3-9-6-4-5-7-10-8(2)11/h3-4,6H,5,7H2,1-2H3,(H,10,11)/b6-4-,9-3+
InChIKeyXMODEDPZDCKEOX-ALQLSLDWSA-N
XLogP1.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide?
The IUPAC name of N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide (CID 143723816) is N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide.
What is the SMILES notation for N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide?
The canonical SMILES for N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide is C/C=N/C=C\CCNC(C)=O.
What is the InChIKey of N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide?
The InChIKey is XMODEDPZDCKEOX-ALQLSLDWSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-9-6-4-5-7-10-8(2)11/h3-4,6H,5,7H2,1-2H3,(H,10,11)/b6-4-,9-3+.
What are the key properties of N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide?
N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide has a molecular weight of 154.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide is sourced from PubChem (CID 143723816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).