(E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol

C5H9NO — CID 147837267

IUPAC(E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol
SMILESC=N/C=C(\C)CO
InChIInChI=1S/C5H9NO/c1-5(4-7)3-6-2/h3,7H,2,4H2,1H3/b5-3+
InChIKeyHSGPJIVQZIVJQW-HWKANZROSA-N
MW99.13 g/mol
LogP0.58
Rot. Bonds2

About (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol

(E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol (PubChem CID 147837267) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol
PubChem CID147837267
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol
SMILESC=N/C=C(\C)CO
InChIInChI=1S/C5H9NO/c1-5(4-7)3-6-2/h3,7H,2,4H2,1H3/b5-3+
InChIKeyHSGPJIVQZIVJQW-HWKANZROSA-N
XLogP0.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol?
The IUPAC name of (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol (CID 147837267) is (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol is C=N/C=C(\C)CO.
What is the InChIKey of (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol?
The InChIKey is HSGPJIVQZIVJQW-HWKANZROSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(4-7)3-6-2/h3,7H,2,4H2,1H3/b5-3+.
What are the key properties of (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol?
(E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol has a molecular weight of 99.13 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol is sourced from PubChem (CID 147837267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).