1-(1,3-oxazolidin-3-yl)prop-2-en-1-one

C6H9NO2 — CID 10898727

IUPAC1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOC1
InChIInChI=1S/C6H9NO2/c1-2-6(8)7-3-4-9-5-7/h2H,1,3-5H2
InChIKeyNSCDPWNBAIYUBX-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.01
Rot. Bonds1

About 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one

1-(1,3-oxazolidin-3-yl)prop-2-en-1-one (PubChem CID 10898727) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
PubChem CID10898727
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOC1
InChIInChI=1S/C6H9NO2/c1-2-6(8)7-3-4-9-5-7/h2H,1,3-5H2
InChIKeyNSCDPWNBAIYUBX-UHFFFAOYSA-N
XLogP-0.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methoxy-ethyl)-pyrrole-2,5-dione
CID 2759573
3-Acryloyl-2-oxazolidinone
CID 10351788
3-[(E)-2-Butenoyl]-1,3-oxazolidin-2-one
CID 5365845
3-(2-Butenoyl)-1,3-oxazolidin-2-one
CID 549611
n,n-Bis(2-methoxyethyl)acrylamide
CID 10035367
Vinylmethyloxazolidinone
CID 11446331
2-Fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
CID 139381365
N-acryloyl-2,2-dimethyl-1,3-oxazolidine
CID 101796230
CID 134857775
CID 134857775
CID 134863250
CID 134863250
3-[(Z)-3-methoxyprop-2-enoyl]-1,3-oxazolidin-2-one
CID 176427979
Oxazolidin-2-one, N-[(Z)-butenoyl]-
CID 5365988

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one (CID 10898727) is 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one is C=CC(=O)N1CCOC1.
What is the InChIKey of 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The InChIKey is NSCDPWNBAIYUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-6(8)7-3-4-9-5-7/h2H,1,3-5H2.
What are the key properties of 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
1-(1,3-oxazolidin-3-yl)prop-2-en-1-one has a molecular weight of 127.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazolidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 10898727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).