3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one

C10H18N2O2 — CID 103071851

IUPAC3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one
SMILESC=C(CNCCC)CN1CCOC1=O
InChIInChI=1S/C10H18N2O2/c1-3-4-11-7-9(2)8-12-5-6-14-10(12)13/h11H,2-8H2,1H3
InChIKeyDOGCXMLGAIEJIZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds6

About 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one

3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 103071851) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one
PubChem CID103071851
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one
SMILESC=C(CNCCC)CN1CCOC1=O
InChIInChI=1S/C10H18N2O2/c1-3-4-11-7-9(2)8-12-5-6-14-10(12)13/h11H,2-8H2,1H3
InChIKeyDOGCXMLGAIEJIZ-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione
CID 103073041
5-propyl-1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one
CID 103072526
4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
CID 103072355
2-(1,4-oxazepan-4-ylmethyl)-N-propylprop-2-en-1-amine
CID 103070419
2-[2-(propylaminomethyl)prop-2-enyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103072998
2-(2-oxo-1,3-oxazolidin-3-yl)-N,N-dipropylacetamide
CID 110686560
1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
CID 110747891
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N-propylprop-2-en-1-amine
CID 103071135
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847
3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
3-octyl-1,3-oxazolidin-2-one
CID 3565999
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one (CID 103071851) is 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one is C=C(CNCCC)CN1CCOC1=O.
What is the InChIKey of 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is DOGCXMLGAIEJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-11-7-9(2)8-12-5-6-14-10(12)13/h11H,2-8H2,1H3.
What are the key properties of 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one?
3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 103071851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).