methanol;2-methylpyrrolidine-2-carbaldehyde

C7H15NO2 — CID 143757683

IUPACmethanol;2-methylpyrrolidine-2-carbaldehyde
SMILESCC1(C=O)CCCN1.CO
InChIInChI=1S/C6H11NO.CH4O/c1-6(5-8)3-2-4-7-6;1-2/h5,7H,2-4H2,1H3;2H,1H3
InChIKeyWEOSIZKRQFEBQQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.06
Rot. Bonds1

About methanol;2-methylpyrrolidine-2-carbaldehyde

methanol;2-methylpyrrolidine-2-carbaldehyde (PubChem CID 143757683) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methanol;2-methylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Namemethanol;2-methylpyrrolidine-2-carbaldehyde
PubChem CID143757683
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethanol;2-methylpyrrolidine-2-carbaldehyde
SMILESCC1(C=O)CCCN1.CO
InChIInChI=1S/C6H11NO.CH4O/c1-6(5-8)3-2-4-7-6;1-2/h5,7H,2-4H2,1H3;2H,1H3
InChIKeyWEOSIZKRQFEBQQ-UHFFFAOYSA-N
XLogP-0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methanol;2-methylpyrrolidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpyrrolidine-2-carbaldehyde;hydrochloride
CID 175842534
butane;ethene;2-methylazetidine-2-carbaldehyde
CID 143339554
2-formylpyrrolidine-2-carboxylic acid
CID 139777637
(2S)-2-formylpyrrolidine-2-carboxylic acid
CID 175746103
(2R)-2-methylpyrrolidin-2-ol
CID 146841570
2,2,3,3,9,9,10,10-octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 71341029
ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
2-methylpyrrolidin-2-amine
CID 22046316
2-(hydroxymethyl)piperidine-2-carbaldehyde
CID 171840707
1-methyl-2-azaspiro[5.5]undecan-1-ol
CID 140662959
1-methyl-2,5-diazaspiro[3.4]octan-3-one
CID 90330182

Frequently Asked Questions

What is the IUPAC name of methanol;2-methylpyrrolidine-2-carbaldehyde?
The IUPAC name of methanol;2-methylpyrrolidine-2-carbaldehyde (CID 143757683) is methanol;2-methylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for methanol;2-methylpyrrolidine-2-carbaldehyde?
The canonical SMILES for methanol;2-methylpyrrolidine-2-carbaldehyde is CC1(C=O)CCCN1.CO.
What is the InChIKey of methanol;2-methylpyrrolidine-2-carbaldehyde?
The InChIKey is WEOSIZKRQFEBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.CH4O/c1-6(5-8)3-2-4-7-6;1-2/h5,7H,2-4H2,1H3;2H,1H3.
What are the key properties of methanol;2-methylpyrrolidine-2-carbaldehyde?
methanol;2-methylpyrrolidine-2-carbaldehyde has a molecular weight of 145.20 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 143757683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).