N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide

C10H17NO2 — CID 63294157

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC(O)C1CC1
InChIInChI=1S/C10H17NO2/c1-7(2)5-10(13)11-6-9(12)8-3-4-8/h5,8-9,12H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyXZZNDSBQPDOXRK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide

N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide (PubChem CID 63294157) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide
PubChem CID63294157
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC(O)C1CC1
InChIInChI=1S/C10H17NO2/c1-7(2)5-10(13)11-6-9(12)8-3-4-8/h5,8-9,12H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyXZZNDSBQPDOXRK-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide (CID 63294157) is N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide?
The InChIKey is XZZNDSBQPDOXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)5-10(13)11-6-9(12)8-3-4-8/h5,8-9,12H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide?
N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbut-2-enamide is sourced from PubChem (CID 63294157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).