1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone

C10H17NO2 — CID 173111081

IUPAC1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
SMILESC=CC[C@H]1COC(C)(C)N1C(C)=O
InChIInChI=1S/C10H17NO2/c1-5-6-9-7-13-10(3,4)11(9)8(2)12/h5,9H,1,6-7H2,2-4H3/t9-/m0/s1
InChIKeyRKPNAJNYJFIORW-VIFPVBQESA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds2

About 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone

1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 173111081) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID173111081
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
SMILESC=CC[C@H]1COC(C)(C)N1C(C)=O
InChIInChI=1S/C10H17NO2/c1-5-6-9-7-13-10(3,4)11(9)8(2)12/h5,9H,1,6-7H2,2-4H3/t9-/m0/s1
InChIKeyRKPNAJNYJFIORW-VIFPVBQESA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4R)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 101170002
4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 23157098
tert-butyl (4S)-4-but-3-enyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10923119
(4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 18646911
tert-butyl (4S)-4-(2-hydroxypent-4-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59344945
tert-butyl 4-(2-hydroxypent-4-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 66894405
4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22352321
(4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 166756964
(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 57042631
tert-butyl (4R)-4-[(E)-4-acetyloxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10686665
4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67188865
2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 70676873

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone (CID 173111081) is 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone is C=CC[C@H]1COC(C)(C)N1C(C)=O.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is RKPNAJNYJFIORW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-9-7-13-10(3,4)11(9)8(2)12/h5,9H,1,6-7H2,2-4H3/t9-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone?
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 183.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 173111081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).