2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone

C17H28N2O2 — CID 129341139

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone
SMILESCN(CC1CC1)C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1
InChIInChI=1S/C17H28N2O2/c1-18(11-15-6-7-15)12-16-13-19(8-9-21-16)17(20)10-14-4-2-3-5-14/h2,4,14-16H,3,5-13H2,1H3/t14-,16+/m1/s1
InChIKeyQZYZCXDILAFWIF-ZBFHGGJFSA-N
MW292.42 g/mol
LogP1.91
Rot. Bonds6

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone (PubChem CID 129341139) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone
PubChem CID129341139
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone
SMILESCN(CC1CC1)C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1
InChIInChI=1S/C17H28N2O2/c1-18(11-15-6-7-15)12-16-13-19(8-9-21-16)17(20)10-14-4-2-3-5-14/h2,4,14-16H,3,5-13H2,1H3/t14-,16+/m1/s1
InChIKeyQZYZCXDILAFWIF-ZBFHGGJFSA-N
XLogP1.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515358
1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 128992624
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 129343529
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343530
1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343528
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
CID 129330732
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 128969879
(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 128970938
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 128995566
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 129336560

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone (CID 129341139) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone is CN(CC1CC1)C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone?
The InChIKey is QZYZCXDILAFWIF-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18(11-15-6-7-15)12-16-13-19(8-9-21-16)17(20)10-14-4-2-3-5-14/h2,4,14-16H,3,5-13H2,1H3/t14-,16+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone has a molecular weight of 292.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 129341139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).