(3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine

C9H13NO — CID 166803956

IUPAC(3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine
SMILESC=C/C=C1\C(=C)OCCN1C
InChIInChI=1S/C9H13NO/c1-4-5-9-8(2)11-7-6-10(9)3/h4-5H,1-2,6-7H2,3H3/b9-5+
InChIKeyXIGZQKCBWRFGEC-WEVVVXLNSA-N
MW151.21 g/mol
LogP1.53
Rot. Bonds1

About (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine

(3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine (PubChem CID 166803956) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine.

Molecular Properties

Compound Name(3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine
PubChem CID166803956
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine
SMILESC=C/C=C1\C(=C)OCCN1C
InChIInChI=1S/C9H13NO/c1-4-5-9-8(2)11-7-6-10(9)3/h4-5H,1-2,6-7H2,3H3/b9-5+
InChIKeyXIGZQKCBWRFGEC-WEVVVXLNSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Morpholine, 4-(2-ethoxy-1-methylene-2-propenyl)-
CID 10797546
N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine
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4-[(3E)-penta-1,3-dien-3-yl]morpholine
CID 22149528
4-(2H-pyran-5-yl)morpholine
CID 22493491
4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium
CID 58541108
2-Ethenylidene-4-ethyl-3-methylidenemorpholine
CID 59306100
4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine
CID 88860280
4-Methyl-2,3-dimethylidenemorpholine
CID 89046999
4,4-Dimethyl-3-methylidene-2-propan-2-ylidenemorpholin-4-ium
CID 89047024
4,4-Dimethyl-2,3-dimethylidenemorpholin-4-ium
CID 89374272
5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene
CID 89468835
4-[(3Z)-penta-1,3-dien-2-yl]morpholine
CID 90153979

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine?
The IUPAC name of (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine (CID 166803956) is (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine.
What is the SMILES notation for (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine?
The canonical SMILES for (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine is C=C/C=C1\C(=C)OCCN1C.
What is the InChIKey of (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine?
The InChIKey is XIGZQKCBWRFGEC-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-5-9-8(2)11-7-6-10(9)3/h4-5H,1-2,6-7H2,3H3/b9-5+.
What are the key properties of (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine?
(3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine has a molecular weight of 151.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine is sourced from PubChem (CID 166803956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).