acetaldehyde;1-pyrrolidin-1-ylethanone

C8H15NO2 — CID 144643682

IUPACacetaldehyde;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CC=O
InChIInChI=1S/C6H11NO.C2H4O/c1-6(8)7-4-2-3-5-7;1-2-3/h2-5H2,1H3;2H,1H3
InChIKeyPDZWKZSCCXFHBL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.83
Rot. Bonds

About acetaldehyde;1-pyrrolidin-1-ylethanone

acetaldehyde;1-pyrrolidin-1-ylethanone (PubChem CID 144643682) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is acetaldehyde;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Nameacetaldehyde;1-pyrrolidin-1-ylethanone
PubChem CID144643682
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameacetaldehyde;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CC=O
InChIInChI=1S/C6H11NO.C2H4O/c1-6(8)7-4-2-3-5-7;1-2-3/h2-5H2,1H3;2H,1H3
InChIKeyPDZWKZSCCXFHBL-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.83
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

1-(2-Methoxypyrrolidin-1-yl)ethan-1-one
CID 12711205
4-Oxo-4-(pyrrolidin-1-yl)butanal
CID 10986478
4-(2,5-Dioxopyrrolidin-1-yl)butanal
CID 11126683
2-Oxo-2-pyrrolidin-1-ylacetaldehyde
CID 11480447
1-(1-Methoxypropyl)pyrrolidin-2-one
CID 16754618
2-oxo-N,N-dipropylacetamide
CID 102294314
N,N-dibutyl-2-oxoacetamide
CID 10487771
4-(2-Oxopyrrolidin-1-yl)butanal
CID 11126494
3-Oxo-3-(pyrrolidin-1-yl)propanal
CID 18445426
3-(2-Oxopyrrolidin-1-yl)propanal
CID 21276564
N-butyl-N-methyl-2-oxoacetamide
CID 21748293
N-butyl-N-(2-oxoethyl)acetamide
CID 54034467

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-pyrrolidin-1-ylethanone?
The IUPAC name of acetaldehyde;1-pyrrolidin-1-ylethanone (CID 144643682) is acetaldehyde;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for acetaldehyde;1-pyrrolidin-1-ylethanone?
The canonical SMILES for acetaldehyde;1-pyrrolidin-1-ylethanone is CC(=O)N1CCCC1.CC=O.
What is the InChIKey of acetaldehyde;1-pyrrolidin-1-ylethanone?
The InChIKey is PDZWKZSCCXFHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H4O/c1-6(8)7-4-2-3-5-7;1-2-3/h2-5H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;1-pyrrolidin-1-ylethanone?
acetaldehyde;1-pyrrolidin-1-ylethanone has a molecular weight of 157.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 144643682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).