(Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol

C7H12N2O2 — CID 138726910

IUPAC(Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol
SMILESC=N/C(OC)=C(\C=N\C)CO
InChIInChI=1S/C7H12N2O2/c1-8-4-6(5-10)7(9-2)11-3/h4,10H,2,5H2,1,3H3/b7-6-,8-4+
InChIKeyJSNOQRRBDVGRIJ-AKAREZBESA-N
MW156.18 g/mol
LogP0.24
Rot. Bonds4

About (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol

(Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol (PubChem CID 138726910) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol
PubChem CID138726910
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol
SMILESC=N/C(OC)=C(\C=N\C)CO
InChIInChI=1S/C7H12N2O2/c1-8-4-6(5-10)7(9-2)11-3/h4,10H,2,5H2,1,3H3/b7-6-,8-4+
InChIKeyJSNOQRRBDVGRIJ-AKAREZBESA-N
XLogP0.24
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1E)-1-methoxy-2-methylbuta-1,3-dienyl]methanimine;propane
CID 143608728
2-(methylideneamino)but-2-en-1-ol
CID 123260913
N-[(Z)-1-methoxyprop-1-enyl]methanimine
CID 144898882
N-(1-methoxyethenyl)methanimine
CID 123326065
2-[(1E,4Z,5Z)-4-ethylidene-1-(methylideneamino)-2-(methyliminomethyl)hepta-1,5-dienoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 142964766
(2E)-2-ethylidene-N-methylpent-4-en-1-imine
CID 144940239
(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
CID 171630884
O-[(2E,5E)-4-amino-6-methoxy-5-methyl-6-(methylideneamino)hexa-2,5-dien-2-yl]hydroxylamine
CID 90452772
N,2,3-trimethylbut-2-en-1-imine
CID 123452663
N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine
CID 166874510
tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate
CID 170011112
(E)-4-methoxy-3-methyl-2-methylidenepent-3-en-1-ol
CID 89424137

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol (CID 138726910) is (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol is C=N/C(OC)=C(\C=N\C)CO.
What is the InChIKey of (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol?
The InChIKey is JSNOQRRBDVGRIJ-AKAREZBESA-N. The full InChI is InChI=1S/C7H12N2O2/c1-8-4-6(5-10)7(9-2)11-3/h4,10H,2,5H2,1,3H3/b7-6-,8-4+.
What are the key properties of (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol?
(Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol has a molecular weight of 156.18 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-3-(methylideneamino)-2-(methyliminomethyl)prop-2-en-1-ol is sourced from PubChem (CID 138726910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).