[(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone

C15H19NO2 — CID 89369712

IUPAC[(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone
SMILESC=CC[C@@]1(C)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C15H19NO2/c1-3-9-15(2)12-16(10-11-18-15)14(17)13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3/t15-/m0/s1
InChIKeyDDNXXJFEMMYJLU-HNNXBMFYSA-N
MW245.32 g/mol
LogP2.49
Rot. Bonds3

About [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone

[(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone (PubChem CID 89369712) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone
PubChem CID89369712
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone
SMILESC=CC[C@@]1(C)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C15H19NO2/c1-3-9-15(2)12-16(10-11-18-15)14(17)13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3/t15-/m0/s1
InChIKeyDDNXXJFEMMYJLU-HNNXBMFYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone (CID 89369712) is [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone is C=CC[C@@]1(C)CN(C(=O)c2ccccc2)CCO1.
What is the InChIKey of [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone?
The InChIKey is DDNXXJFEMMYJLU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-9-15(2)12-16(10-11-18-15)14(17)13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone?
[(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone has a molecular weight of 245.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 89369712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).