(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone

C14H19NO — CID 176864496

IUPAC(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
SMILESCC1CN(C(=O)c2cccc(C(C)C)c2)C1
InChIInChI=1S/C14H19NO/c1-10(2)12-5-4-6-13(7-12)14(16)15-8-11(3)9-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUXPIDDIJAMANRR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.90
Rot. Bonds2

About (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone

(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone (PubChem CID 176864496) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
PubChem CID176864496
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
SMILESCC1CN(C(=O)c2cccc(C(C)C)c2)C1
InChIInChI=1S/C14H19NO/c1-10(2)12-5-4-6-13(7-12)14(16)15-8-11(3)9-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUXPIDDIJAMANRR-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
CID 145229880
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
CID 168961119
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-propan-2-ylphenyl)methanone
CID 162637817
[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-(3-propan-2-ylphenyl)methanone
CID 154811874
(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
CID 176515168
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169

Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone?
The IUPAC name of (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone (CID 176864496) is (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone is CC1CN(C(=O)c2cccc(C(C)C)c2)C1.
What is the InChIKey of (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone?
The InChIKey is UXPIDDIJAMANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)12-5-4-6-13(7-12)14(16)15-8-11(3)9-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone?
(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 176864496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).