(2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one

C14H23NO2 — CID 100990997

IUPAC(2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCOCC1)[C@@]1(C)C=CCCC1
InChIInChI=1S/C14H23NO2/c1-12(14(2)6-4-3-5-7-14)13(16)15-8-10-17-11-9-15/h4,6,12H,3,5,7-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyHTLSXLDAWJCCAW-OCCSQVGLSA-N
MW237.34 g/mol
LogP2.23
Rot. Bonds2

About (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 100990997) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID100990997
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCOCC1)[C@@]1(C)C=CCCC1
InChIInChI=1S/C14H23NO2/c1-12(14(2)6-4-3-5-7-14)13(16)15-8-10-17-11-9-15/h4,6,12H,3,5,7-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyHTLSXLDAWJCCAW-OCCSQVGLSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.23
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

(2R)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one
CID 10999025
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-methyl-1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 104598665
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
2-[(1-aminocyclopentyl)methoxy]-1-morpholin-4-ylpropan-1-one
CID 64574605
2-chloro-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62986954
1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one
CID 112690185
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one (CID 100990997) is (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one is C[C@H](C(=O)N1CCOCC1)[C@@]1(C)C=CCCC1.
What is the InChIKey of (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HTLSXLDAWJCCAW-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(14(2)6-4-3-5-7-14)13(16)15-8-10-17-11-9-15/h4,6,12H,3,5,7-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 100990997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).