(2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one

C14H25NO — CID 101478101

IUPAC(2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one
SMILESCCCC/C=C1\CN(CCC)[C@H](C)CC1=O
InChIInChI=1S/C14H25NO/c1-4-6-7-8-13-11-15(9-5-2)12(3)10-14(13)16/h8,12H,4-7,9-11H2,1-3H3/b13-8+/t12-/m1/s1
InChIKeyFOGDTLUMTOYZOU-FMNNIJNLSA-N
MW223.36 g/mol
LogP3.18
Rot. Bonds5

About (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one

(2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one (PubChem CID 101478101) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one.

Molecular Properties

Compound Name(2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one
PubChem CID101478101
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one
SMILESCCCC/C=C1\CN(CCC)[C@H](C)CC1=O
InChIInChI=1S/C14H25NO/c1-4-6-7-8-13-11-15(9-5-2)12(3)10-14(13)16/h8,12H,4-7,9-11H2,1-3H3/b13-8+/t12-/m1/s1
InChIKeyFOGDTLUMTOYZOU-FMNNIJNLSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
(3Z,5S)-3-hexylidene-5-methyloxolan-2-one
CID 58599698
(3Z,5R)-3-decylidene-5-methyloxolan-2-one
CID 124636115
(3Z)-3-pentylidenepiperidine-2,6-dione
CID 123499320
1,2-di(pentylidene)cyclohexane
CID 11356709
(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one
CID 5467294
(2Z)-2-octylidenecyclopentan-1-one
CID 87161532
(2E)-2-octylidenecyclohexan-1-one
CID 6441359
(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121
(2E)-2-heptylidene-7-methyl-3a,4,7,7a-tetrahydro-3H-inden-1-one;hexane;propane
CID 142809052
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
(4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one
CID 142881457

Frequently Asked Questions

What is the IUPAC name of (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one?
The IUPAC name of (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one (CID 101478101) is (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one.
What is the SMILES notation for (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one?
The canonical SMILES for (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one is CCCC/C=C1\CN(CCC)[C@H](C)CC1=O.
What is the InChIKey of (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one?
The InChIKey is FOGDTLUMTOYZOU-FMNNIJNLSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-7-8-13-11-15(9-5-2)12(3)10-14(13)16/h8,12H,4-7,9-11H2,1-3H3/b13-8+/t12-/m1/s1.
What are the key properties of (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one?
(2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one has a molecular weight of 223.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one is sourced from PubChem (CID 101478101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).