4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine

C8H18N2O2 — CID 143021831

IUPAC4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine
SMILESCN1CC(O)CC1C=O.CNC
InChIInChI=1S/C6H11NO2.C2H7N/c1-7-3-6(9)2-5(7)4-8;1-3-2/h4-6,9H,2-3H2,1H3;3H,1-2H3
InChIKeyNOXWPVCXFNCJMN-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.91
Rot. Bonds1

About 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine

4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine (PubChem CID 143021831) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine.

Molecular Properties

Compound Name4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine
PubChem CID143021831
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine
SMILESCN1CC(O)CC1C=O.CNC
InChIInChI=1S/C6H11NO2.C2H7N/c1-7-3-6(9)2-5(7)4-8;1-3-2/h4-6,9H,2-3H2,1H3;3H,1-2H3
InChIKeyNOXWPVCXFNCJMN-UHFFFAOYSA-N
XLogP-0.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87590455
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
4-hydroxy-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carbaldehyde
CID 163386470
tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
CID 143021832
1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461
(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
tert-butyl N-[2-[(2S,4S)-2-formyl-4-hydroxypyrrolidin-1-yl]-2-sulfanylideneethyl]carbamate
CID 59926953

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine?
The IUPAC name of 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine (CID 143021831) is 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine.
What is the SMILES notation for 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine?
The canonical SMILES for 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine is CN1CC(O)CC1C=O.CNC.
What is the InChIKey of 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine?
The InChIKey is NOXWPVCXFNCJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H7N/c1-7-3-6(9)2-5(7)4-8;1-3-2/h4-6,9H,2-3H2,1H3;3H,1-2H3.
What are the key properties of 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine?
4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine has a molecular weight of 174.24 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine is sourced from PubChem (CID 143021831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).