azetidin-3-yl-(4-propylphenyl)methanone

C13H17NO — CID 116583611

IUPACazetidin-3-yl-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2CNC2)cc1
InChIInChI=1S/C13H17NO/c1-2-3-10-4-6-11(7-5-10)13(15)12-8-14-9-12/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyBTJKZVSPSLZOCX-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.04
Rot. Bonds4

About azetidin-3-yl-(4-propylphenyl)methanone

azetidin-3-yl-(4-propylphenyl)methanone (PubChem CID 116583611) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is azetidin-3-yl-(4-propylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(4-propylphenyl)methanone
PubChem CID116583611
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Nameazetidin-3-yl-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2CNC2)cc1
InChIInChI=1S/C13H17NO/c1-2-3-10-4-6-11(7-5-10)13(15)12-8-14-9-12/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyBTJKZVSPSLZOCX-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
methyl 4-(azetidine-3-carbonyl)benzoate;hydrochloride
CID 86263323
(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid
CID 114512492
[4-(2-hydroxyethyl)phenyl]-piperidin-4-ylmethanone
CID 20613864
ethane;4-propylbenzoic acid
CID 91047964
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
CID 20803106

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4-propylphenyl)methanone?
The IUPAC name of azetidin-3-yl-(4-propylphenyl)methanone (CID 116583611) is azetidin-3-yl-(4-propylphenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(4-propylphenyl)methanone?
The canonical SMILES for azetidin-3-yl-(4-propylphenyl)methanone is CCCc1ccc(C(=O)C2CNC2)cc1.
What is the InChIKey of azetidin-3-yl-(4-propylphenyl)methanone?
The InChIKey is BTJKZVSPSLZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-10-4-6-11(7-5-10)13(15)12-8-14-9-12/h4-7,12,14H,2-3,8-9H2,1H3.
What are the key properties of azetidin-3-yl-(4-propylphenyl)methanone?
azetidin-3-yl-(4-propylphenyl)methanone has a molecular weight of 203.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4-propylphenyl)methanone is sourced from PubChem (CID 116583611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).