prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate

C14H17NO3 — CID 89305173

IUPACprop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CC(COc2ccccc2)C1
InChIInChI=1S/C14H17NO3/c1-11(2)18-14(16)15-8-12(9-15)10-17-13-6-4-3-5-7-13/h3-7,12H,1,8-10H2,2H3
InChIKeyHWPSSDONRQPWPM-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.67
Rot. Bonds4

About prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate

prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate (PubChem CID 89305173) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate
PubChem CID89305173
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameprop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CC(COc2ccccc2)C1
InChIInChI=1S/C14H17NO3/c1-11(2)18-14(16)15-8-12(9-15)10-17-13-6-4-3-5-7-13/h3-7,12H,1,8-10H2,2H3
InChIKeyHWPSSDONRQPWPM-UHFFFAOYSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,3-oxazole-5-carbonyl)-6-(phenoxymethyl)-1,4-diazepan-1-yl]ethanone
CID 110258755
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
[(1S)-cyclohex-3-en-1-yl]-[3-(phenoxymethyl)azetidin-1-yl]methanone
CID 100678884
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
CID 64617419
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
cyclopropylmethoxybenzene
CID 12712156
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide
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2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911
4-[(2S)-2-(hydroxymethyl)-4-(phenoxymethyl)pyrrolidin-1-yl]butan-2-one
CID 142151687

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate?
The IUPAC name of prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate (CID 89305173) is prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate?
The canonical SMILES for prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate is C=C(C)OC(=O)N1CC(COc2ccccc2)C1.
What is the InChIKey of prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate?
The InChIKey is HWPSSDONRQPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11(2)18-14(16)15-8-12(9-15)10-17-13-6-4-3-5-7-13/h3-7,12H,1,8-10H2,2H3.
What are the key properties of prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate?
prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 3-(phenoxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 89305173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).