(E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide

C10H16N2O — CID 71792394

IUPAC(E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide
SMILESC/C=C/C(=O)NCC#CCN(C)C
InChIInChI=1S/C10H16N2O/c1-4-7-10(13)11-8-5-6-9-12(2)3/h4,7H,8-9H2,1-3H3,(H,11,13)/b7-4+
InChIKeyYBFINEKKUOVFPR-QPJJXVBHSA-N
MW180.25 g/mol
LogP0.24
Rot. Bonds3

About (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide

(E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide (PubChem CID 71792394) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide
PubChem CID71792394
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide
SMILESC/C=C/C(=O)NCC#CCN(C)C
InChIInChI=1S/C10H16N2O/c1-4-7-10(13)11-8-5-6-9-12(2)3/h4,7H,8-9H2,1-3H3,(H,11,13)/b7-4+
InChIKeyYBFINEKKUOVFPR-QPJJXVBHSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide (CID 71792394) is (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide is C/C=C/C(=O)NCC#CCN(C)C.
What is the InChIKey of (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide?
The InChIKey is YBFINEKKUOVFPR-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-7-10(13)11-8-5-6-9-12(2)3/h4,7H,8-9H2,1-3H3,(H,11,13)/b7-4+.
What are the key properties of (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide?
(E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide has a molecular weight of 180.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylamino)but-2-ynyl]but-2-enamide is sourced from PubChem (CID 71792394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).