1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one

C15H27NO2 — CID 95123093

IUPAC1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1
InChIInChI=1S/C15H27NO2/c1-4-5-9-15(17)16-10-11-18-14(12-16)8-6-7-13(2)3/h4,13-14H,1,5-12H2,2-3H3/t14-/m1/s1
InChIKeyDSDXIMOZTOJLKG-CQSZACIVSA-N
MW253.39 g/mol
LogP3.01
Rot. Bonds7

About 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one

1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one (PubChem CID 95123093) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one
PubChem CID95123093
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1
InChIInChI=1S/C15H27NO2/c1-4-5-9-15(17)16-10-11-18-14(12-16)8-6-7-13(2)3/h4,13-14H,1,5-12H2,2-3H3/t14-/m1/s1
InChIKeyDSDXIMOZTOJLKG-CQSZACIVSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one
CID 25367584
1-[(2R)-2-(4-methylpentyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 25456655
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
4-(4-methylpentanoyl)morpholine-2-carbothioamide
CID 79674672
2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125152120
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one?
The IUPAC name of 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one (CID 95123093) is 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one?
The canonical SMILES for 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one is C=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1.
What is the InChIKey of 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one?
The InChIKey is DSDXIMOZTOJLKG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-5-9-15(17)16-10-11-18-14(12-16)8-6-7-13(2)3/h4,13-14H,1,5-12H2,2-3H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one?
1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one has a molecular weight of 253.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one is sourced from PubChem (CID 95123093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).