1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde

C7H11NO2 — CID 141361076

IUPAC1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde
SMILESC=C1C(C)CN(O)C1C=O
InChIInChI=1S/C7H11NO2/c1-5-3-8(10)7(4-9)6(5)2/h4-5,7,10H,2-3H2,1H3
InChIKeyRIACTPWINMIRRG-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds1

About 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde

1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde (PubChem CID 141361076) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde
PubChem CID141361076
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde
SMILESC=C1C(C)CN(O)C1C=O
InChIInChI=1S/C7H11NO2/c1-5-3-8(10)7(4-9)6(5)2/h4-5,7,10H,2-3H2,1H3
InChIKeyRIACTPWINMIRRG-UHFFFAOYSA-N
XLogP0.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4,6-dimethyl-2-methylidenecyclohexane-1,3-dione
CID 70519866
4-methylidenecyclohexane-1-carbaldehyde
CID 15818136
1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde
CID 173210555
1-hydroxy-3,4-dimethylimidazolidin-2-one
CID 154468014
(3S)-7-hydroxy-2,3-dimethyl-1,3-dihydroisoindole-1-carbaldehyde
CID 174642930
1-(3,4-dimethylpyrrolidin-1-yl)but-2-en-1-one
CID 79036612
1,3,5-trimethyl-2-methylidenecyclohexane
CID 58661247
1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one
CID 13104228
7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride
CID 155344836

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde?
The IUPAC name of 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde (CID 141361076) is 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde is C=C1C(C)CN(O)C1C=O.
What is the InChIKey of 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde?
The InChIKey is RIACTPWINMIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-8(10)7(4-9)6(5)2/h4-5,7,10H,2-3H2,1H3.
What are the key properties of 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde?
1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde has a molecular weight of 141.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-3-methylidenepyrrolidine-2-carbaldehyde is sourced from PubChem (CID 141361076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).