2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde

C8H15NO2 — CID 170767969

IUPAC2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde
SMILESCOC(C)C1CCCN1C=O
InChIInChI=1S/C8H15NO2/c1-7(11-2)8-4-3-5-9(8)6-10/h6-8H,3-5H2,1-2H3
InChIKeyUPYUTVIBRIUOAN-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds3

About 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde

2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde (PubChem CID 170767969) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde
PubChem CID170767969
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde
SMILESCOC(C)C1CCCN1C=O
InChIInChI=1S/C8H15NO2/c1-7(11-2)8-4-3-5-9(8)6-10/h6-8H,3-5H2,1-2H3
InChIKeyUPYUTVIBRIUOAN-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylpyrrolidine-1-carbaldehyde
CID 177315996
2-benzhydrylpyrrolidine-1-carbaldehyde
CID 87629183
4-[1-(1-formylpyrrolidin-2-yl)ethyl]benzonitrile
CID 156719849
methyl 2-formyl-3-(1-formylazetidin-2-yl)-3-methoxypropanoate
CID 145062029
2-tert-butylpyrrolidine-1-carbaldehyde
CID 88935056
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
CID 64992279
(1-formylpyrrolidin-2-yl)boronic acid
CID 143049670
(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde
CID 143479343
2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde
CID 142690055
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-3-(1-formylpyrrolidin-2-yl)-3-methoxypropanamide
CID 177177407
3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide
CID 166824109

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde (CID 170767969) is 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde is COC(C)C1CCCN1C=O.
What is the InChIKey of 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde?
The InChIKey is UPYUTVIBRIUOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(11-2)8-4-3-5-9(8)6-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde?
2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 170767969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).