(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal

C11H19NO — CID 117267742

IUPAC(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal
SMILESCN1CCCCC1C/C=C\CC=O
InChIInChI=1S/C11H19NO/c1-12-9-5-4-8-11(12)7-3-2-6-10-13/h2-3,10-11H,4-9H2,1H3/b3-2-
InChIKeyMQZKZRJJOYCBPG-IHWYPQMZSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds4

About (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal

(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal (PubChem CID 117267742) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal.

Molecular Properties

Compound Name(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal
PubChem CID117267742
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal
SMILESCN1CCCCC1C/C=C\CC=O
InChIInChI=1S/C11H19NO/c1-12-9-5-4-8-11(12)7-3-2-6-10-13/h2-3,10-11H,4-9H2,1H3/b3-2-
InChIKeyMQZKZRJJOYCBPG-IHWYPQMZSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-pent-2-enylpiperidine
CID 175484811
(Z)-5-(1-methylpiperidin-2-yl)pent-3-en-1-ol
CID 117267735
(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride
CID 117265916
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal
CID 117266799
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
CID 58874495
1-methyl-2-(2-methylbut-2-enyl)piperidine
CID 91142338
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal?
The IUPAC name of (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal (CID 117267742) is (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal.
What is the SMILES notation for (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal?
The canonical SMILES for (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal is CN1CCCCC1C/C=C\CC=O.
What is the InChIKey of (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal?
The InChIKey is MQZKZRJJOYCBPG-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-9-5-4-8-11(12)7-3-2-6-10-13/h2-3,10-11H,4-9H2,1H3/b3-2-.
What are the key properties of (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal?
(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal has a molecular weight of 181.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1-methylpiperidin-2-yl)pent-3-enal is sourced from PubChem (CID 117267742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).