5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one

C12H20N2O2 — CID 82023084

IUPAC5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(CCC2=CCCCC2)C(=O)O1
InChIInChI=1S/C12H20N2O2/c13-8-11-9-14(12(15)16-11)7-6-10-4-2-1-3-5-10/h4,11H,1-3,5-9,13H2
InChIKeyDRHWHABLWTWFAC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.66
Rot. Bonds4

About 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 82023084) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID82023084
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(CCC2=CCCCC2)C(=O)O1
InChIInChI=1S/C12H20N2O2/c13-8-11-9-14(12(15)16-11)7-6-10-4-2-1-3-5-10/h4,11H,1-3,5-9,13H2
InChIKeyDRHWHABLWTWFAC-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one
CID 82158446
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 112594212
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228
1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one
CID 106172173
N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
1-[2-(cyclohexen-1-yl)ethyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113182346
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113182280
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113182299
1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione
CID 13247225

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one (CID 82023084) is 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one is NCC1CN(CCC2=CCCCC2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is DRHWHABLWTWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-8-11-9-14(12(15)16-11)7-6-10-4-2-1-3-5-10/h4,11H,1-3,5-9,13H2.
What are the key properties of 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 82023084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).