4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one

C7H14N2O2 — CID 115064531

IUPAC4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCCN)COC(=O)N1
InChIInChI=1S/C7H14N2O2/c1-7(3-2-4-8)5-11-6(10)9-7/h2-5,8H2,1H3,(H,9,10)
InChIKeyGWMNMDYNPSCSEP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.22
Rot. Bonds3

About 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one

4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115064531) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID115064531
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCCN)COC(=O)N1
InChIInChI=1S/C7H14N2O2/c1-7(3-2-4-8)5-11-6(10)9-7/h2-5,8H2,1H3,(H,9,10)
InChIKeyGWMNMDYNPSCSEP-UHFFFAOYSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one (CID 115064531) is 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one is CC1(CCCN)COC(=O)N1.
What is the InChIKey of 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is GWMNMDYNPSCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(3-2-4-8)5-11-6(10)9-7/h2-5,8H2,1H3,(H,9,10).
What are the key properties of 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one?
4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).