N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide

C10H17NO — CID 178011558

IUPACN-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide
SMILESC/C=C/CNC(=O)CC1(C)CC1
InChIInChI=1S/C10H17NO/c1-3-4-7-11-9(12)8-10(2)5-6-10/h3-4H,5-8H2,1-2H3,(H,11,12)/b4-3+
InChIKeyAMVVIVQZAUUDCZ-ONEGZZNKSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide

N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide (PubChem CID 178011558) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide
PubChem CID178011558
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide
SMILESC/C=C/CNC(=O)CC1(C)CC1
InChIInChI=1S/C10H17NO/c1-3-4-7-11-9(12)8-10(2)5-6-10/h3-4H,5-8H2,1-2H3,(H,11,12)/b4-3+
InChIKeyAMVVIVQZAUUDCZ-ONEGZZNKSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide (CID 178011558) is N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide is C/C=C/CNC(=O)CC1(C)CC1.
What is the InChIKey of N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide?
The InChIKey is AMVVIVQZAUUDCZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-7-11-9(12)8-10(2)5-6-10/h3-4H,5-8H2,1-2H3,(H,11,12)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide?
N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide has a molecular weight of 167.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 178011558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).