1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one

C10H17NO2 — CID 169185680

IUPAC1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC[C@H]1CCC
InChIInChI=1S/C10H17NO2/c1-3-5-9-8-13-7-6-11(9)10(12)4-2/h4,9H,2-3,5-8H2,1H3/t9-/m1/s1
InChIKeyVWYZZWWLACOWSQ-SECBINFHSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one

1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one (PubChem CID 169185680) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one
PubChem CID169185680
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC[C@H]1CCC
InChIInChI=1S/C10H17NO2/c1-3-5-9-8-13-7-6-11(9)10(12)4-2/h4,9H,2-3,5-8H2,1H3/t9-/m1/s1
InChIKeyVWYZZWWLACOWSQ-SECBINFHSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
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 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one (CID 169185680) is 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOC[C@H]1CCC.
What is the InChIKey of 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one?
The InChIKey is VWYZZWWLACOWSQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-9-8-13-7-6-11(9)10(12)4-2/h4,9H,2-3,5-8H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one?
1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 169185680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).