2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde

C9H17NO — CID 84763666

IUPAC2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
SMILESCC(C)N1CCC(CC=O)C1
InChIInChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-10)4-6-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyILLIEKKKQJMEDM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds3

About 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde

2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde (PubChem CID 84763666) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
PubChem CID84763666
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
SMILESCC(C)N1CCC(CC=O)C1
InChIInChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-10)4-6-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyILLIEKKKQJMEDM-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
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

3-[(Z)-3-isocyanatoprop-2-enyl]-1-propan-2-ylpyrrolidine
CID 117267015
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
3-(1-propan-2-ylpiperidin-4-yl)propanal
CID 83906803
methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-2-enoate
CID 117266138
(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal
CID 117267482
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate
CID 117267442
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde (CID 84763666) is 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde is CC(C)N1CCC(CC=O)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde?
The InChIKey is ILLIEKKKQJMEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-10)4-6-11/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde?
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde is sourced from PubChem (CID 84763666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).