1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride

C7H14ClNO2 — CID 174706430

IUPAC1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride
SMILESCC1CCN1C(C)OC=O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6-3-4-8(6)7(2)10-5-9;/h5-7H,3-4H2,1-2H3;1H
InChIKeyXYIOVDHUIXRHDA-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride

1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride (PubChem CID 174706430) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride.

Molecular Properties

Compound Name1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride
PubChem CID174706430
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride
SMILESCC1CCN1C(C)OC=O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6-3-4-8(6)7(2)10-5-9;/h5-7H,3-4H2,1-2H3;1H
InChIKeyXYIOVDHUIXRHDA-UHFFFAOYSA-N
XLogP1.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
1-(2-methylazetidin-1-yl)ethanamine
CID 67641354
[(1R)-1-cyclopropylethyl] formate
CID 143509718
3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol
CID 104550509
1-(3-amino-2-oxopiperidin-1-yl)ethyl formate
CID 174559614
(2R)-2-(2-methylazetidin-1-yl)propan-1-ol
CID 104550441
propan-2-yl formate;dihydrochloride
CID 141306590
1-(2,5-dioxopyrrolidin-1-yl)ethyl formate
CID 173415580
3-(2-methylazetidin-1-yl)butanenitrile
CID 79687499
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
CID 159786270
1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde
CID 159863431

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride?
The IUPAC name of 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride (CID 174706430) is 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride.
What is the SMILES notation for 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride?
The canonical SMILES for 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride is CC1CCN1C(C)OC=O.Cl.
What is the InChIKey of 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride?
The InChIKey is XYIOVDHUIXRHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-6-3-4-8(6)7(2)10-5-9;/h5-7H,3-4H2,1-2H3;1H.
What are the key properties of 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride?
1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylazetidin-1-yl)ethyl formate;hydrochloride is sourced from PubChem (CID 174706430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).