[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone

C12H14ClNO2 — CID 116589032

IUPAC[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
SMILESNCC1CCC(C(=O)c2ccccc2Cl)O1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)12(15)11-6-5-8(7-14)16-11/h1-4,8,11H,5-7,14H2
InChIKeySTFMEBKRGBWIMW-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.03
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone

[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone (PubChem CID 116589032) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
PubChem CID116589032
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
SMILESNCC1CCC(C(=O)c2ccccc2Cl)O1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)12(15)11-6-5-8(7-14)16-11/h1-4,8,11H,5-7,14H2
InChIKeySTFMEBKRGBWIMW-UHFFFAOYSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120790270
(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide
CID 120792350
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 120788310
(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120788603
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786660
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone
CID 116589251
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
1-[5-(aminomethyl)oxolan-2-yl]-2-(2,5-dichlorophenyl)ethanone
CID 116589208

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone (CID 116589032) is [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone is NCC1CCC(C(=O)c2ccccc2Cl)O1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone?
The InChIKey is STFMEBKRGBWIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)12(15)11-6-5-8(7-14)16-11/h1-4,8,11H,5-7,14H2.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone has a molecular weight of 239.70 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 116589032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).