(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal

C11H19NO2 — CID 90877548

IUPAC(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal
SMILESC[C@H](C=O)CCC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-10(9-13)5-6-11(14)12-7-3-2-4-8-12/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyQNDKAGFTJASBKO-JTQLQIEISA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds4

About (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal

(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal (PubChem CID 90877548) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal.

Molecular Properties

Compound Name(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal
PubChem CID90877548
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal
SMILESC[C@H](C=O)CCC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-10(9-13)5-6-11(14)12-7-3-2-4-8-12/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyQNDKAGFTJASBKO-JTQLQIEISA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
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

4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
(4S)-4,5-dimethyl-1-pyrrolidin-1-ylhexan-1-one
CID 169219250
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
4-(aminomethyl)-1-(azepan-1-yl)heptan-1-one
CID 112515748
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
CID 59070126
CID 59070126
2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone
CID 107899213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal?
The IUPAC name of (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal (CID 90877548) is (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal.
What is the SMILES notation for (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal?
The canonical SMILES for (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal is C[C@H](C=O)CCC(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal?
The InChIKey is QNDKAGFTJASBKO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(9-13)5-6-11(14)12-7-3-2-4-8-12/h9-10H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal?
(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal has a molecular weight of 197.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal is sourced from PubChem (CID 90877548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).