3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide

C14H23NO2 — CID 138742170

IUPAC3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide
SMILESC=C(C)CC(=O)NC(C)C/C=C1\COC(C)C1
InChIInChI=1S/C14H23NO2/c1-10(2)7-14(16)15-11(3)5-6-13-8-12(4)17-9-13/h6,11-12H,1,5,7-9H2,2-4H3,(H,15,16)/b13-6-
InChIKeyRXMAULCMIMZBRK-MLPAPPSSSA-N
MW237.34 g/mol
LogP2.58
Rot. Bonds5

About 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide

3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide (PubChem CID 138742170) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide.

Molecular Properties

Compound Name3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide
PubChem CID138742170
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide
SMILESC=C(C)CC(=O)NC(C)C/C=C1\COC(C)C1
InChIInChI=1S/C14H23NO2/c1-10(2)7-14(16)15-11(3)5-6-13-8-12(4)17-9-13/h6,11-12H,1,5,7-9H2,2-4H3,(H,15,16)/b13-6-
InChIKeyRXMAULCMIMZBRK-MLPAPPSSSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide?
The IUPAC name of 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide (CID 138742170) is 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide.
What is the SMILES notation for 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide?
The canonical SMILES for 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide is C=C(C)CC(=O)NC(C)C/C=C1\COC(C)C1.
What is the InChIKey of 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide?
The InChIKey is RXMAULCMIMZBRK-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)7-14(16)15-11(3)5-6-13-8-12(4)17-9-13/h6,11-12H,1,5,7-9H2,2-4H3,(H,15,16)/b13-6-.
What are the key properties of 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide?
3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide has a molecular weight of 237.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide is sourced from PubChem (CID 138742170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).