(E)-N-but-1-en-2-yl-2-methylbut-2-enamide

C9H15NO — CID 166829652

IUPAC(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
SMILESC=C(CC)NC(=O)/C(C)=C/C
InChIInChI=1S/C9H15NO/c1-5-7(3)9(11)10-8(4)6-2/h5H,4,6H2,1-3H3,(H,10,11)/b7-5+
InChIKeyCJDITRRGQLWGSN-FNORWQNLSA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds3

About (E)-N-but-1-en-2-yl-2-methylbut-2-enamide

(E)-N-but-1-en-2-yl-2-methylbut-2-enamide (PubChem CID 166829652) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-N-but-1-en-2-yl-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
PubChem CID166829652
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
SMILESC=C(CC)NC(=O)/C(C)=C/C
InChIInChI=1S/C9H15NO/c1-5-7(3)9(11)10-8(4)6-2/h5H,4,6H2,1-3H3,(H,10,11)/b7-5+
InChIKeyCJDITRRGQLWGSN-FNORWQNLSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-but-1-en-2-yl-2-methylbut-2-enamide?
The IUPAC name of (E)-N-but-1-en-2-yl-2-methylbut-2-enamide (CID 166829652) is (E)-N-but-1-en-2-yl-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-but-1-en-2-yl-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-but-1-en-2-yl-2-methylbut-2-enamide is C=C(CC)NC(=O)/C(C)=C/C.
What is the InChIKey of (E)-N-but-1-en-2-yl-2-methylbut-2-enamide?
The InChIKey is CJDITRRGQLWGSN-FNORWQNLSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(3)9(11)10-8(4)6-2/h5H,4,6H2,1-3H3,(H,10,11)/b7-5+.
What are the key properties of (E)-N-but-1-en-2-yl-2-methylbut-2-enamide?
(E)-N-but-1-en-2-yl-2-methylbut-2-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-but-1-en-2-yl-2-methylbut-2-enamide is sourced from PubChem (CID 166829652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).