6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one

C12H21NO3 — CID 58549980

IUPAC6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one
SMILESC=CC1CN(CCCOC(C)C)C(=O)CO1
InChIInChI=1S/C12H21NO3/c1-4-11-8-13(12(14)9-16-11)6-5-7-15-10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyZWJQQABQVMJXDF-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.21
Rot. Bonds6

About 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one

6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one (PubChem CID 58549980) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one.

Molecular Properties

Compound Name6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one
PubChem CID58549980
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one
SMILESC=CC1CN(CCCOC(C)C)C(=O)CO1
InChIInChI=1S/C12H21NO3/c1-4-11-8-13(12(14)9-16-11)6-5-7-15-10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyZWJQQABQVMJXDF-UHFFFAOYSA-N
XLogP1.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-Methyl-2-propen-1-yl)oxy]-1-(4-morpholinyl)ethanone
CID 70497158
2-prop-2-enoxy-N,N-bis(prop-2-enyl)propanamide
CID 13561294
1-[2-(Prop-2-enoxymethyl)morpholin-4-yl]ethanone
CID 23402895
2-[[6-[(2-propenyloxy)methyl]-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide
CID 23452408
2-Allyloxymethyl-4-n-propylmorpholin-5-one
CID 53837644
4-Butyl-6-ethenylmorpholin-3-one
CID 58550061
(2R)-1-morpholin-4-yl-2-prop-2-enoxypropan-1-one
CID 59430741
1-Morpholin-4-yl-2-pent-1-en-3-yloxyethanone
CID 68150571
1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone
CID 90250225
1-(2,6-Dimethylmorpholin-4-yl)but-3-en-1-one
CID 118305335
2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone
CID 122502844
1-Morpholin-4-yl-2-prop-2-enoxyethanone
CID 144763613

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one?
The IUPAC name of 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one (CID 58549980) is 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one.
What is the SMILES notation for 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one?
The canonical SMILES for 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one is C=CC1CN(CCCOC(C)C)C(=O)CO1.
What is the InChIKey of 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one?
The InChIKey is ZWJQQABQVMJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-11-8-13(12(14)9-16-11)6-5-7-15-10(2)3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one?
6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one has a molecular weight of 227.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one is sourced from PubChem (CID 58549980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).