2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one

C14H18N2O2 — CID 117368198

IUPAC2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one
SMILESCC(N)C1(c2cccc(N3OCCC3=O)c2)CC1
InChIInChI=1S/C14H18N2O2/c1-10(15)14(6-7-14)11-3-2-4-12(9-11)16-13(17)5-8-18-16/h2-4,9-10H,5-8,15H2,1H3
InChIKeyQZVGEGNQNBKDIN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds3

About 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one

2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one (PubChem CID 117368198) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one
PubChem CID117368198
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one
SMILESCC(N)C1(c2cccc(N3OCCC3=O)c2)CC1
InChIInChI=1S/C14H18N2O2/c1-10(15)14(6-7-14)11-3-2-4-12(9-11)16-13(17)5-8-18-16/h2-4,9-10H,5-8,15H2,1H3
InChIKeyQZVGEGNQNBKDIN-UHFFFAOYSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one (CID 117368198) is 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one is CC(N)C1(c2cccc(N3OCCC3=O)c2)CC1.
What is the InChIKey of 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one?
The InChIKey is QZVGEGNQNBKDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(15)14(6-7-14)11-3-2-4-12(9-11)16-13(17)5-8-18-16/h2-4,9-10H,5-8,15H2,1H3.
What are the key properties of 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one?
2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one has a molecular weight of 246.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117368198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).