(E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one

C14H17NO2 — CID 163018922

IUPAC(E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one
SMILESCO[C@@H]1CCCN1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c1-17-14-8-5-11-15(14)13(16)10-9-12-6-3-2-4-7-12/h2-4,6-7,9-10,14H,5,8,11H2,1H3/b10-9+/t14-/m1/s1
InChIKeyUJHOJFYNJYVNOZ-ATWMFIQVSA-N
MW231.30 g/mol
LogP2.29
Rot. Bonds3

About (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 163018922) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID163018922
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one
SMILESCO[C@@H]1CCCN1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c1-17-14-8-5-11-15(14)13(16)10-9-12-6-3-2-4-7-12/h2-4,6-7,9-10,14H,5,8,11H2,1H3/b10-9+/t14-/m1/s1
InChIKeyUJHOJFYNJYVNOZ-ATWMFIQVSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.29
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 (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one (CID 163018922) is (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one is CO[C@@H]1CCCN1C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is UJHOJFYNJYVNOZ-ATWMFIQVSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-14-8-5-11-15(14)13(16)10-9-12-6-3-2-4-7-12/h2-4,6-7,9-10,14H,5,8,11H2,1H3/b10-9+/t14-/m1/s1.
What are the key properties of (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 163018922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).