ethane;2-methylidene-3,4-dihydro-1,3-oxazine

C7H13NO — CID 91326666

IUPACethane;2-methylidene-3,4-dihydro-1,3-oxazine
SMILESC=C1NCC=CO1.CC
InChIInChI=1S/C5H7NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h2,4,6H,1,3H2;1-2H3
InChIKeyUWJAZKSNQLCFIZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.62
Rot. Bonds

About ethane;2-methylidene-3,4-dihydro-1,3-oxazine

ethane;2-methylidene-3,4-dihydro-1,3-oxazine (PubChem CID 91326666) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is ethane;2-methylidene-3,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Nameethane;2-methylidene-3,4-dihydro-1,3-oxazine
PubChem CID91326666
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nameethane;2-methylidene-3,4-dihydro-1,3-oxazine
SMILESC=C1NCC=CO1.CC
InChIInChI=1S/C5H7NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h2,4,6H,1,3H2;1-2H3
InChIKeyUWJAZKSNQLCFIZ-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydro-1,3-oxazine
CID 19939796
6-Methoxy-1,2-dihydropyridine
CID 5255215
4,5-Dihydro-1,4-oxazepine
CID 19370107
6-Ethoxy-1,2-dihydropyridine
CID 22318745
2-Methylidene-3,4-dihydro-1,3-oxazine
CID 59114531
N-(ethoxymethyl)prop-2-en-1-amine
CID 87754092
3-methoxy-N-methylprop-2-en-1-amine
CID 88578918
3,4-dihydro-2H-1,3-oxazin-6-amine
CID 90302998
(1E)-1-methoxy-N-methylbuta-1,3-dien-1-amine
CID 118349249
(1E)-1-ethoxy-N-methylbuta-1,3-dien-1-amine
CID 118349257
(E)-3-methoxy-N-methylprop-2-en-1-amine
CID 124149109
(E)-1-methoxy-N-propylprop-1-en-1-amine
CID 126729823

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-3,4-dihydro-1,3-oxazine?
The IUPAC name of ethane;2-methylidene-3,4-dihydro-1,3-oxazine (CID 91326666) is ethane;2-methylidene-3,4-dihydro-1,3-oxazine.
What is the SMILES notation for ethane;2-methylidene-3,4-dihydro-1,3-oxazine?
The canonical SMILES for ethane;2-methylidene-3,4-dihydro-1,3-oxazine is C=C1NCC=CO1.CC.
What is the InChIKey of ethane;2-methylidene-3,4-dihydro-1,3-oxazine?
The InChIKey is UWJAZKSNQLCFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h2,4,6H,1,3H2;1-2H3.
What are the key properties of ethane;2-methylidene-3,4-dihydro-1,3-oxazine?
ethane;2-methylidene-3,4-dihydro-1,3-oxazine has a molecular weight of 127.19 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-3,4-dihydro-1,3-oxazine is sourced from PubChem (CID 91326666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).