3-(dimethylamino)-2-methylideneoxan-4-one

C8H13NO2 — CID 174583131

IUPAC3-(dimethylamino)-2-methylideneoxan-4-one
SMILESC=C1OCCC(=O)C1N(C)C
InChIInChI=1S/C8H13NO2/c1-6-8(9(2)3)7(10)4-5-11-6/h8H,1,4-5H2,2-3H3
InChIKeyACWJNTRQOPXANO-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds1

About 3-(dimethylamino)-2-methylideneoxan-4-one

3-(dimethylamino)-2-methylideneoxan-4-one (PubChem CID 174583131) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylideneoxan-4-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylideneoxan-4-one
PubChem CID174583131
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(dimethylamino)-2-methylideneoxan-4-one
SMILESC=C1OCCC(=O)C1N(C)C
InChIInChI=1S/C8H13NO2/c1-6-8(9(2)3)7(10)4-5-11-6/h8H,1,4-5H2,2-3H3
InChIKeyACWJNTRQOPXANO-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90863942
5-methyl-3,5-dihydro-2H-1-benzoxepin-4-one
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4-methyloxetan-2-one;oxetan-2-one
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(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one
CID 10920770
3-(dimethylamino)oxolan-2-one
CID 22088506
(5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one
CID 15830421
2-methyl-3-methylidenecyclopentan-1-one
CID 58905861
3-[(dimethylamino)methyl]oxan-4-one
CID 15050158
2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexan-1-one
CID 82741982
2-methyloxan-3-one
CID 11073379
N,N-dimethylacetamide;1,3-dioxolan-2-one
CID 158215912

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylideneoxan-4-one?
The IUPAC name of 3-(dimethylamino)-2-methylideneoxan-4-one (CID 174583131) is 3-(dimethylamino)-2-methylideneoxan-4-one.
What is the SMILES notation for 3-(dimethylamino)-2-methylideneoxan-4-one?
The canonical SMILES for 3-(dimethylamino)-2-methylideneoxan-4-one is C=C1OCCC(=O)C1N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methylideneoxan-4-one?
The InChIKey is ACWJNTRQOPXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-8(9(2)3)7(10)4-5-11-6/h8H,1,4-5H2,2-3H3.
What are the key properties of 3-(dimethylamino)-2-methylideneoxan-4-one?
3-(dimethylamino)-2-methylideneoxan-4-one has a molecular weight of 155.20 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylideneoxan-4-one is sourced from PubChem (CID 174583131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).