(2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde

C10H17NO — CID 142335849

IUPAC(2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde
SMILESCC/C(C)=C1\CCCCN1C=O
InChIInChI=1S/C10H17NO/c1-3-9(2)10-6-4-5-7-11(10)8-12/h8H,3-7H2,1-2H3/b10-9+
InChIKeyZHHWPUTWOYKBIZ-MDZDMXLPSA-N
MW167.25 g/mol
LogP2.31
Rot. Bonds2

About (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde

(2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde (PubChem CID 142335849) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde
PubChem CID142335849
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde
SMILESCC/C(C)=C1\CCCCN1C=O
InChIInChI=1S/C10H17NO/c1-3-9(2)10-6-4-5-7-11(10)8-12/h8H,3-7H2,1-2H3/b10-9+
InChIKeyZHHWPUTWOYKBIZ-MDZDMXLPSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-propan-2-ylidenepiperidin-1-amine
CID 142404459
7-(2-ethylphenyl)-2,3,4,5-tetrahydroazepine-1-carbaldehyde
CID 146193865
6-acetyl-2,3,4,5-tetrahydroazepine-1-carbaldehyde
CID 13293771
ethane;piperidine-1-carbaldehyde;propane
CID 170585838
methyl (2E)-2-[(2-oxopyrrolidin-1-yl)methylidene]butanoate
CID 122230502
1-piperidin-1-ylethanone;propanal
CID 178173122
N-ethylethanamine;1-piperidin-1-ylethanone
CID 143658502
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
ethyl 2-[1-(2-methoxy-2-oxoethyl)sulfanylpiperidin-2-ylidene]propanoate
CID 173361403
N-(1-formyl-2,3-dihydroindol-7-yl)acetamide
CID 112537361
7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 10241972
1-tert-butyl-2-propan-2-ylidenepiperidine
CID 155014498

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde?
The IUPAC name of (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde (CID 142335849) is (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde.
What is the SMILES notation for (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde?
The canonical SMILES for (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde is CC/C(C)=C1\CCCCN1C=O.
What is the InChIKey of (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde?
The InChIKey is ZHHWPUTWOYKBIZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(2)10-6-4-5-7-11(10)8-12/h8H,3-7H2,1-2H3/b10-9+.
What are the key properties of (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde?
(2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde has a molecular weight of 167.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde is sourced from PubChem (CID 142335849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).