N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide

C9H15NO2 — CID 166415254

IUPACN-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide
SMILESC=CC(=O)N(C[C@@H](C)O)C1CC1
InChIInChI=1S/C9H15NO2/c1-3-9(12)10(6-7(2)11)8-4-5-8/h3,7-8,11H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyVDQNUEPBNXISLG-SSDOTTSWSA-N
MW169.22 g/mol
LogP0.54
Rot. Bonds4

About N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide

N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide (PubChem CID 166415254) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide
PubChem CID166415254
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide
SMILESC=CC(=O)N(C[C@@H](C)O)C1CC1
InChIInChI=1S/C9H15NO2/c1-3-9(12)10(6-7(2)11)8-4-5-8/h3,7-8,11H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyVDQNUEPBNXISLG-SSDOTTSWSA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
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-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide?
The IUPAC name of N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide (CID 166415254) is N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide.
What is the SMILES notation for N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide?
The canonical SMILES for N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide is C=CC(=O)N(C[C@@H](C)O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide?
The InChIKey is VDQNUEPBNXISLG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(12)10(6-7(2)11)8-4-5-8/h3,7-8,11H,1,4-6H2,2H3/t7-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide?
N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide is sourced from PubChem (CID 166415254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).