2-(but-3-en-2-ylideneamino)-N-propylacetamide

C9H16N2O — CID 123402459

IUPAC2-(but-3-en-2-ylideneamino)-N-propylacetamide
SMILESC=C/C(C)=N/CC(=O)NCCC
InChIInChI=1S/C9H16N2O/c1-4-6-10-9(12)7-11-8(3)5-2/h5H,2,4,6-7H2,1,3H3,(H,10,12)/b11-8+
InChIKeyLVSLQJLRMGTNEQ-DHZHZOJOSA-N
MW168.24 g/mol
LogP1.16
Rot. Bonds5

About 2-(but-3-en-2-ylideneamino)-N-propylacetamide

2-(but-3-en-2-ylideneamino)-N-propylacetamide (PubChem CID 123402459) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(but-3-en-2-ylideneamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(but-3-en-2-ylideneamino)-N-propylacetamide
PubChem CID123402459
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(but-3-en-2-ylideneamino)-N-propylacetamide
SMILESC=C/C(C)=N/CC(=O)NCCC
InChIInChI=1S/C9H16N2O/c1-4-6-10-9(12)7-11-8(3)5-2/h5H,2,4,6-7H2,1,3H3,(H,10,12)/b11-8+
InChIKeyLVSLQJLRMGTNEQ-DHZHZOJOSA-N
XLogP1.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.16
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 2-(but-3-en-2-ylideneamino)-N-propylacetamide?
The IUPAC name of 2-(but-3-en-2-ylideneamino)-N-propylacetamide (CID 123402459) is 2-(but-3-en-2-ylideneamino)-N-propylacetamide.
What is the SMILES notation for 2-(but-3-en-2-ylideneamino)-N-propylacetamide?
The canonical SMILES for 2-(but-3-en-2-ylideneamino)-N-propylacetamide is C=C/C(C)=N/CC(=O)NCCC.
What is the InChIKey of 2-(but-3-en-2-ylideneamino)-N-propylacetamide?
The InChIKey is LVSLQJLRMGTNEQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6-10-9(12)7-11-8(3)5-2/h5H,2,4,6-7H2,1,3H3,(H,10,12)/b11-8+.
What are the key properties of 2-(but-3-en-2-ylideneamino)-N-propylacetamide?
2-(but-3-en-2-ylideneamino)-N-propylacetamide has a molecular weight of 168.24 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-en-2-ylideneamino)-N-propylacetamide is sourced from PubChem (CID 123402459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).