(2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine

C15H17NO — CID 10561274

IUPAC(2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine
SMILESC#C[C@@H]1[C@H](OCc2ccccc2)CN1CC=C
InChIInChI=1S/C15H17NO/c1-3-10-16-11-15(14(16)4-2)17-12-13-8-6-5-7-9-13/h2-3,5-9,14-15H,1,10-12H2/t14-,15-/m1/s1
InChIKeyHYEQHTGSRBHVMD-HUUCEWRRSA-N
MW227.31 g/mol
LogP2.08
Rot. Bonds5

About (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine

(2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine (PubChem CID 10561274) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine.

Molecular Properties

Compound Name(2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine
PubChem CID10561274
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine
SMILESC#C[C@@H]1[C@H](OCc2ccccc2)CN1CC=C
InChIInChI=1S/C15H17NO/c1-3-10-16-11-15(14(16)4-2)17-12-13-8-6-5-7-9-13/h2-3,5-9,14-15H,1,10-12H2/t14-,15-/m1/s1
InChIKeyHYEQHTGSRBHVMD-HUUCEWRRSA-N
XLogP2.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phendimetrazine
CID 30487
Bontril
CID 12460
3-(Benzyloxy)azetidine-1-carbonitrile
CID 9877581
Phendimetrazine hydrochloride
CID 6437591
3,4-Dimethyl-2-phenylmorpholine--hydrogen chloride (1/1)
CID 111021
1-benzyloxy-N,N-diethyl-hexadecan-2-amine
CID 24936445
Triethylamine, 2-benzyloxy-
CID 3044879
2,3,4-Trimethyl-5-phenyloxazolidine
CID 5322112
1-Cyclohexyl-3-(diphenylmethoxy)azetidine
CID 38473
Phenethylamine, beta-ethoxy-N,N-diethyl-
CID 99785
Morpholinium, 2-phenyl-3,4,4-trimethyl-, bromide
CID 199019
N-(2-Methoxy-2-phenylethyl)-N-propylpropan-1-amine
CID 3057528

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine?
The IUPAC name of (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine (CID 10561274) is (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine.
What is the SMILES notation for (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine?
The canonical SMILES for (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine is C#C[C@@H]1[C@H](OCc2ccccc2)CN1CC=C.
What is the InChIKey of (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine?
The InChIKey is HYEQHTGSRBHVMD-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-10-16-11-15(14(16)4-2)17-12-13-8-6-5-7-9-13/h2-3,5-9,14-15H,1,10-12H2/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine?
(2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine has a molecular weight of 227.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidine is sourced from PubChem (CID 10561274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).