(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde

C10H14N2O2 — CID 100978793

IUPAC(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde
SMILESCc1cc([C@]2(C=O)CCCN2C)on1
InChIInChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)10(7-13)4-3-5-12(10)2/h6-7H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyGEWNOPMVNSKRRY-SNVBAGLBSA-N
MW194.23 g/mol
LogP1.10
Rot. Bonds2

About (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde

(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde (PubChem CID 100978793) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde
PubChem CID100978793
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde
SMILESCc1cc([C@]2(C=O)CCCN2C)on1
InChIInChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)10(7-13)4-3-5-12(10)2/h6-7H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyGEWNOPMVNSKRRY-SNVBAGLBSA-N
XLogP1.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde (CID 100978793) is (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde is Cc1cc([C@]2(C=O)CCCN2C)on1.
What is the InChIKey of (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde?
The InChIKey is GEWNOPMVNSKRRY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)10(7-13)4-3-5-12(10)2/h6-7H,3-5H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde?
(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 100978793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).