3-phenyl-1-prop-2-enylazetidine

C12H15N — CID 23632

IUPAC3-phenyl-1-prop-2-enylazetidine
SMILESC=CCN1CC(c2ccccc2)C1
InChIInChI=1S/C12H15N/c1-2-8-13-9-12(10-13)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyKTKJARRHLQAJIY-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.27
Rot. Bonds3

About 3-phenyl-1-prop-2-enylazetidine

3-phenyl-1-prop-2-enylazetidine (PubChem CID 23632) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-phenyl-1-prop-2-enylazetidine.

Molecular Properties

Compound Name3-phenyl-1-prop-2-enylazetidine
PubChem CID23632
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-phenyl-1-prop-2-enylazetidine
SMILESC=CCN1CC(c2ccccc2)C1
InChIInChI=1S/C12H15N/c1-2-8-13-9-12(10-13)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyKTKJARRHLQAJIY-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729
1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane
CID 101109605
5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 70512497
(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol
CID 102383033
(3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-1-prop-2-enylazepane
CID 71658430
1-prop-2-enylpyrrolidine-3,4-diol
CID 72779960
(1S,9S)-9-phenyl-11-prop-2-enyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-5,6-diol
CID 70417735
(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
CID 102383032
3-phenyl-1-propan-2-ylazetidine
CID 23628
(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577108
4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577111
(5S)-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
CID 6603997

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-prop-2-enylazetidine?
The IUPAC name of 3-phenyl-1-prop-2-enylazetidine (CID 23632) is 3-phenyl-1-prop-2-enylazetidine.
What is the SMILES notation for 3-phenyl-1-prop-2-enylazetidine?
The canonical SMILES for 3-phenyl-1-prop-2-enylazetidine is C=CCN1CC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-prop-2-enylazetidine?
The InChIKey is KTKJARRHLQAJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-8-13-9-12(10-13)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2.
What are the key properties of 3-phenyl-1-prop-2-enylazetidine?
3-phenyl-1-prop-2-enylazetidine has a molecular weight of 173.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-prop-2-enylazetidine is sourced from PubChem (CID 23632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).