5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde

C10H13NO2S — CID 130933426

IUPAC5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
SMILESCC1CC(O)CN1c1ccc(C=O)s1
InChIInChI=1S/C10H13NO2S/c1-7-4-8(13)5-11(7)10-3-2-9(6-12)14-10/h2-3,6-8,13H,4-5H2,1H3
InChIKeyCGMBVPFSIOYNPI-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.52
Rot. Bonds2

About 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde

5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde (PubChem CID 130933426) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
PubChem CID130933426
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
SMILESCC1CC(O)CN1c1ccc(C=O)s1
InChIInChI=1S/C10H13NO2S/c1-7-4-8(13)5-11(7)10-3-2-9(6-12)14-10/h2-3,6-8,13H,4-5H2,1H3
InChIKeyCGMBVPFSIOYNPI-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-formylthiophen-2-yl)azetidine-3-carboxamide
CID 131071616
5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
CID 106836357
5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde
CID 103497726
1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol
CID 130993857
5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
CID 107227802
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
1-(6-chloro-2-methylpyrimidin-4-yl)-5-methylpyrrolidin-3-ol
CID 130921256
1-(6-aminopyrazin-2-yl)-5-methylpyrrolidin-3-ol
CID 126989530
4-[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-1-benzothiophene-7-carbonitrile
CID 68968874
1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol
CID 130993389
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
5-trimethylgermylthiophene-2-carbaldehyde
CID 15686472

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde (CID 130933426) is 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde is CC1CC(O)CN1c1ccc(C=O)s1.
What is the InChIKey of 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde?
The InChIKey is CGMBVPFSIOYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-4-8(13)5-11(7)10-3-2-9(6-12)14-10/h2-3,6-8,13H,4-5H2,1H3.
What are the key properties of 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde?
5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde has a molecular weight of 211.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 130933426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).