(2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde

C7H11NO — CID 131977443

IUPAC(2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde
SMILESC=C1C[C@@H](C=O)N(C)C1
InChIInChI=1S/C7H11NO/c1-6-3-7(5-9)8(2)4-6/h5,7H,1,3-4H2,2H3/t7-/m0/s1
InChIKeyCJXUNWJYZDXCET-ZETCQYMHSA-N
MW125.17 g/mol
LogP0.45
Rot. Bonds1

About (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde

(2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde (PubChem CID 131977443) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde
PubChem CID131977443
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde
SMILESC=C1C[C@@H](C=O)N(C)C1
InChIInChI=1S/C7H11NO/c1-6-3-7(5-9)8(2)4-6/h5,7H,1,3-4H2,2H3/t7-/m0/s1
InChIKeyCJXUNWJYZDXCET-ZETCQYMHSA-N
XLogP0.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde (CID 131977443) is (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde is C=C1C[C@@H](C=O)N(C)C1.
What is the InChIKey of (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde?
The InChIKey is CJXUNWJYZDXCET-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-7(5-9)8(2)4-6/h5,7H,1,3-4H2,2H3/t7-/m0/s1.
What are the key properties of (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde?
(2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-4-methylidenepyrrolidine-2-carbaldehyde is sourced from PubChem (CID 131977443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).