N-[(Z)-but-2-en-2-yl]-2-methylpropanamide

C8H15NO — CID 59640696

IUPACN-[(Z)-but-2-en-2-yl]-2-methylpropanamide
SMILESC/C=C(/C)NC(=O)C(C)C
InChIInChI=1S/C8H15NO/c1-5-7(4)9-8(10)6(2)3/h5-6H,1-4H3,(H,9,10)/b7-5-
InChIKeyZWLJNIKVUBCOEY-ALCCZGGFSA-N
MW141.21 g/mol
LogP1.68
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-2-methylpropanamide

N-[(Z)-but-2-en-2-yl]-2-methylpropanamide (PubChem CID 59640696) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-2-methylpropanamide
PubChem CID59640696
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(Z)-but-2-en-2-yl]-2-methylpropanamide
SMILESC/C=C(/C)NC(=O)C(C)C
InChIInChI=1S/C8H15NO/c1-5-7(4)9-8(10)6(2)3/h5-6H,1-4H3,(H,9,10)/b7-5-
InChIKeyZWLJNIKVUBCOEY-ALCCZGGFSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-2-methylpropanamide (CID 59640696) is N-[(Z)-but-2-en-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-2-methylpropanamide is C/C=C(/C)NC(=O)C(C)C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-2-methylpropanamide?
The InChIKey is ZWLJNIKVUBCOEY-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-7(4)9-8(10)6(2)3/h5-6H,1-4H3,(H,9,10)/b7-5-.
What are the key properties of N-[(Z)-but-2-en-2-yl]-2-methylpropanamide?
N-[(Z)-but-2-en-2-yl]-2-methylpropanamide has a molecular weight of 141.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-2-methylpropanamide is sourced from PubChem (CID 59640696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).