N-ethyl-N-(2-methylidenebut-3-enyl)acetamide

C9H15NO — CID 134177643

IUPACN-ethyl-N-(2-methylidenebut-3-enyl)acetamide
SMILESC=CC(=C)CN(CC)C(C)=O
InChIInChI=1S/C9H15NO/c1-5-8(3)7-10(6-2)9(4)11/h5H,1,3,6-7H2,2,4H3
InChIKeyVWMPVDHFJHZMBU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.60
Rot. Bonds4

About N-ethyl-N-(2-methylidenebut-3-enyl)acetamide

N-ethyl-N-(2-methylidenebut-3-enyl)acetamide (PubChem CID 134177643) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-ethyl-N-(2-methylidenebut-3-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylidenebut-3-enyl)acetamide
PubChem CID134177643
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-ethyl-N-(2-methylidenebut-3-enyl)acetamide
SMILESC=CC(=C)CN(CC)C(C)=O
InChIInChI=1S/C9H15NO/c1-5-8(3)7-10(6-2)9(4)11/h5H,1,3,6-7H2,2,4H3
InChIKeyVWMPVDHFJHZMBU-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylidenebut-3-enyl)acetamide?
The IUPAC name of N-ethyl-N-(2-methylidenebut-3-enyl)acetamide (CID 134177643) is N-ethyl-N-(2-methylidenebut-3-enyl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylidenebut-3-enyl)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylidenebut-3-enyl)acetamide is C=CC(=C)CN(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-(2-methylidenebut-3-enyl)acetamide?
The InChIKey is VWMPVDHFJHZMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8(3)7-10(6-2)9(4)11/h5H,1,3,6-7H2,2,4H3.
What are the key properties of N-ethyl-N-(2-methylidenebut-3-enyl)acetamide?
N-ethyl-N-(2-methylidenebut-3-enyl)acetamide has a molecular weight of 153.22 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylidenebut-3-enyl)acetamide is sourced from PubChem (CID 134177643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).