2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol

C10H19NO2 — CID 141048112

IUPAC2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol
SMILESC=CCC(C)(O)C1COC(C)(C)N1
InChIInChI=1S/C10H19NO2/c1-5-6-10(4,12)8-7-13-9(2,3)11-8/h5,8,11-12H,1,6-7H2,2-4H3
InChIKeyMDHIDRCSZDGMDI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds3

About 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol

2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol (PubChem CID 141048112) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol
PubChem CID141048112
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol
SMILESC=CCC(C)(O)C1COC(C)(C)N1
InChIInChI=1S/C10H19NO2/c1-5-6-10(4,12)8-7-13-9(2,3)11-8/h5,8,11-12H,1,6-7H2,2-4H3
InChIKeyMDHIDRCSZDGMDI-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
CID 90727869
(2S)-2-[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]pent-4-en-2-ol
CID 90946142
4-[(Hex-5-en-2-ylamino)methyl]oxan-4-ol
CID 104582226

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol?
The IUPAC name of 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol (CID 141048112) is 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol?
The canonical SMILES for 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol is C=CCC(C)(O)C1COC(C)(C)N1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol?
The InChIKey is MDHIDRCSZDGMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-10(4,12)8-7-13-9(2,3)11-8/h5,8,11-12H,1,6-7H2,2-4H3.
What are the key properties of 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol?
2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol has a molecular weight of 185.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-oxazolidin-4-yl)pent-4-en-2-ol is sourced from PubChem (CID 141048112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).