2-(1-acetylpiperidin-4-yl)prop-2-enal

C10H15NO2 — CID 45119214

IUPAC2-(1-acetylpiperidin-4-yl)prop-2-enal
SMILESC=C(C=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H15NO2/c1-8(7-12)10-3-5-11(6-4-10)9(2)13/h7,10H,1,3-6H2,2H3
InChIKeyVIXHACZSIRXGIV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.00
Rot. Bonds2

About 2-(1-acetylpiperidin-4-yl)prop-2-enal

2-(1-acetylpiperidin-4-yl)prop-2-enal (PubChem CID 45119214) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)prop-2-enal.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)prop-2-enal
PubChem CID45119214
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-(1-acetylpiperidin-4-yl)prop-2-enal
SMILESC=C(C=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H15NO2/c1-8(7-12)10-3-5-11(6-4-10)9(2)13/h7,10H,1,3-6H2,2H3
InChIKeyVIXHACZSIRXGIV-UHFFFAOYSA-N
XLogP1.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone
CID 126758452
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
(3S)-1-acetylpyrrolidine-3-carbaldehyde
CID 93496150
1-(1-acetylpiperidin-4-yl)-2-bromoethanone
CID 77230326
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(4-sulfanylpiperidin-1-yl)ethanone
CID 91167607
1-(4-bromopiperidin-1-yl)ethanone
CID 22894003
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)prop-2-enal?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)prop-2-enal (CID 45119214) is 2-(1-acetylpiperidin-4-yl)prop-2-enal.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)prop-2-enal?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)prop-2-enal is C=C(C=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)prop-2-enal?
The InChIKey is VIXHACZSIRXGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(7-12)10-3-5-11(6-4-10)9(2)13/h7,10H,1,3-6H2,2H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)prop-2-enal?
2-(1-acetylpiperidin-4-yl)prop-2-enal has a molecular weight of 181.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)prop-2-enal is sourced from PubChem (CID 45119214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).