2-methyl-3-morpholin-4-ylprop-1-en-1-one

C8H13NO2 — CID 87850524

IUPAC2-methyl-3-morpholin-4-ylprop-1-en-1-one
SMILESCC(=C=O)CN1CCOCC1
InChIInChI=1S/C8H13NO2/c1-8(7-10)6-9-2-4-11-5-3-9/h2-6H2,1H3
InChIKeySDCYKOUINMDFGJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.10
Rot. Bonds2

About 2-methyl-3-morpholin-4-ylprop-1-en-1-one

2-methyl-3-morpholin-4-ylprop-1-en-1-one (PubChem CID 87850524) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-ylprop-1-en-1-one.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-ylprop-1-en-1-one
PubChem CID87850524
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methyl-3-morpholin-4-ylprop-1-en-1-one
SMILESCC(=C=O)CN1CCOCC1
InChIInChI=1S/C8H13NO2/c1-8(7-10)6-9-2-4-11-5-3-9/h2-6H2,1H3
InChIKeySDCYKOUINMDFGJ-UHFFFAOYSA-N
XLogP0.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylbuta-2,3-dienyl)morpholine
CID 14891012
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
methyl 2-morpholin-4-ylacetate
CID 1268178
3-methyl-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
CID 134690671
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
sodium 3-methyl-4-morpholin-4-ylbut-2-enoate
CID 126782013
N'-methyl-2-morpholin-4-ylacetohydrazide
CID 142817300
2-[13,16-bis(carboxymethyl)-7-ethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetic acid
CID 156838378
2-[4-(carboxymethyl)-10-(3-oxobutyl)-1-oxa-4,7,10-triazacyclododec-7-yl]acetic acid
CID 164874664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-ylprop-1-en-1-one?
The IUPAC name of 2-methyl-3-morpholin-4-ylprop-1-en-1-one (CID 87850524) is 2-methyl-3-morpholin-4-ylprop-1-en-1-one.
What is the SMILES notation for 2-methyl-3-morpholin-4-ylprop-1-en-1-one?
The canonical SMILES for 2-methyl-3-morpholin-4-ylprop-1-en-1-one is CC(=C=O)CN1CCOCC1.
What is the InChIKey of 2-methyl-3-morpholin-4-ylprop-1-en-1-one?
The InChIKey is SDCYKOUINMDFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(7-10)6-9-2-4-11-5-3-9/h2-6H2,1H3.
What are the key properties of 2-methyl-3-morpholin-4-ylprop-1-en-1-one?
2-methyl-3-morpholin-4-ylprop-1-en-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-ylprop-1-en-1-one is sourced from PubChem (CID 87850524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).