N-cyclopropyl-2-methoxy-3-methylbut-2-enamide

C9H15NO2 — CID 58065342

IUPACN-cyclopropyl-2-methoxy-3-methylbut-2-enamide
SMILESCOC(C(=O)NC1CC1)=C(C)C
InChIInChI=1S/C9H15NO2/c1-6(2)8(12-3)9(11)10-7-4-5-7/h7H,4-5H2,1-3H3,(H,10,11)
InChIKeyVZRYJMQPAALETB-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.21
Rot. Bonds3

About N-cyclopropyl-2-methoxy-3-methylbut-2-enamide

N-cyclopropyl-2-methoxy-3-methylbut-2-enamide (PubChem CID 58065342) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-3-methylbut-2-enamide
PubChem CID58065342
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-cyclopropyl-2-methoxy-3-methylbut-2-enamide
SMILESCOC(C(=O)NC1CC1)=C(C)C
InChIInChI=1S/C9H15NO2/c1-6(2)8(12-3)9(11)10-7-4-5-7/h7H,4-5H2,1-3H3,(H,10,11)
InChIKeyVZRYJMQPAALETB-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-3-methylbut-2-enamide?
The IUPAC name of N-cyclopropyl-2-methoxy-3-methylbut-2-enamide (CID 58065342) is N-cyclopropyl-2-methoxy-3-methylbut-2-enamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-3-methylbut-2-enamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-3-methylbut-2-enamide is COC(C(=O)NC1CC1)=C(C)C.
What is the InChIKey of N-cyclopropyl-2-methoxy-3-methylbut-2-enamide?
The InChIKey is VZRYJMQPAALETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)8(12-3)9(11)10-7-4-5-7/h7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-cyclopropyl-2-methoxy-3-methylbut-2-enamide?
N-cyclopropyl-2-methoxy-3-methylbut-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-3-methylbut-2-enamide is sourced from PubChem (CID 58065342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).