(2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde

C7H9NO2 — CID 58705861

IUPAC(2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde
SMILESC=C1C[C@@H](C=O)N(C=O)C1
InChIInChI=1S/C7H9NO2/c1-6-2-7(4-9)8(3-6)5-10/h4-5,7H,1-3H2/t7-/m0/s1
InChIKeyPHIWCVOKOUPFRN-ZETCQYMHSA-N
MW139.15 g/mol
LogP-0.03
Rot. Bonds2

About (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde

(2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde (PubChem CID 58705861) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde.

Molecular Properties

Compound Name(2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde
PubChem CID58705861
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde
SMILESC=C1C[C@@H](C=O)N(C=O)C1
InChIInChI=1S/C7H9NO2/c1-6-2-7(4-9)8(3-6)5-10/h4-5,7H,1-3H2/t7-/m0/s1
InChIKeyPHIWCVOKOUPFRN-ZETCQYMHSA-N
XLogP-0.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.03
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)-4-methylidenepyrrolidine-1,2-dicarbaldehyde?
The IUPAC name of (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde (CID 58705861) is (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde.
What is the SMILES notation for (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde?
The canonical SMILES for (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde is C=C1C[C@@H](C=O)N(C=O)C1.
What is the InChIKey of (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde?
The InChIKey is PHIWCVOKOUPFRN-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9NO2/c1-6-2-7(4-9)8(3-6)5-10/h4-5,7H,1-3H2/t7-/m0/s1.
What are the key properties of (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde?
(2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde has a molecular weight of 139.15 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylidenepyrrolidine-1,2-dicarbaldehyde is sourced from PubChem (CID 58705861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).