(3-propylphenyl) azetidine-1-carboxylate

C13H17NO2 — CID 59994559

IUPAC(3-propylphenyl) azetidine-1-carboxylate
SMILESCCCc1cccc(OC(=O)N2CCC2)c1
InChIInChI=1S/C13H17NO2/c1-2-5-11-6-3-7-12(10-11)16-13(15)14-8-4-9-14/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyCQCSOHWDVXGOIS-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.84
Rot. Bonds3

About (3-propylphenyl) azetidine-1-carboxylate

(3-propylphenyl) azetidine-1-carboxylate (PubChem CID 59994559) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3-propylphenyl) azetidine-1-carboxylate.

Molecular Properties

Compound Name(3-propylphenyl) azetidine-1-carboxylate
PubChem CID59994559
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3-propylphenyl) azetidine-1-carboxylate
SMILESCCCc1cccc(OC(=O)N2CCC2)c1
InChIInChI=1S/C13H17NO2/c1-2-5-11-6-3-7-12(10-11)16-13(15)14-8-4-9-14/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyCQCSOHWDVXGOIS-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-propylphenyl) azetidine-1-carboxylate 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

(3-propylphenyl) acetate
CID 44589271
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-methoxy-3-propylbenzene
CID 14270128
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl] pyrrolidine-1-carboxylate
CID 123814267
(3-propylphenyl) dihydrogen phosphate
CID 139845836
(3-methylphenyl) 4-methylpiperazine-1-carboxylate
CID 127542806
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110799357
1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731

Frequently Asked Questions

What is the IUPAC name of (3-propylphenyl) azetidine-1-carboxylate?
The IUPAC name of (3-propylphenyl) azetidine-1-carboxylate (CID 59994559) is (3-propylphenyl) azetidine-1-carboxylate.
What is the SMILES notation for (3-propylphenyl) azetidine-1-carboxylate?
The canonical SMILES for (3-propylphenyl) azetidine-1-carboxylate is CCCc1cccc(OC(=O)N2CCC2)c1.
What is the InChIKey of (3-propylphenyl) azetidine-1-carboxylate?
The InChIKey is CQCSOHWDVXGOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-5-11-6-3-7-12(10-11)16-13(15)14-8-4-9-14/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of (3-propylphenyl) azetidine-1-carboxylate?
(3-propylphenyl) azetidine-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylphenyl) azetidine-1-carboxylate is sourced from PubChem (CID 59994559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).