2-(methyliminomethyl)prop-2-en-1-ol

C5H9NO — CID 147655350

IUPAC2-(methyliminomethyl)prop-2-en-1-ol
SMILESC=C(/C=N/C)CO
InChIInChI=1S/C5H9NO/c1-5(4-7)3-6-2/h3,7H,1,4H2,2H3/b6-3+
InChIKeyGKHKQEPJJVWWDL-ZZXKWVIFSA-N
MW99.13 g/mol
LogP0.24
Rot. Bonds2

About 2-(methyliminomethyl)prop-2-en-1-ol

2-(methyliminomethyl)prop-2-en-1-ol (PubChem CID 147655350) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-(methyliminomethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(methyliminomethyl)prop-2-en-1-ol
PubChem CID147655350
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-(methyliminomethyl)prop-2-en-1-ol
SMILESC=C(/C=N/C)CO
InChIInChI=1S/C5H9NO/c1-5(4-7)3-6-2/h3,7H,1,4H2,2H3/b6-3+
InChIKeyGKHKQEPJJVWWDL-ZZXKWVIFSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methylprop-2-enylideneamino)propan-1-ol
CID 87696764
(E)-2-(methyliminomethyl)but-2-en-1-ol
CID 89088085
2-(Ethenyliminomethyl)prop-2-en-1-ol
CID 90075604
2-Methyl-3-(methylideneamino)prop-2-en-1-ol
CID 123991818
(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol
CID 144880651
(E)-2-methyl-3-(methylideneamino)prop-2-en-1-ol
CID 147837267
3-Amino-2-(ethyliminomethyl)prop-2-en-1-ol
CID 148188698
Azet-3-ylmethanol
CID 152756597
3-Amino-2-(methyliminomethyl)prop-2-en-1-ol
CID 153241132
(E)-2-methyl-4-methyliminobut-2-en-1-ol
CID 155040562
Ethane;2-(ethenyliminomethyl)prop-2-en-1-ol
CID 169144387
Azet-3-ylmethanol;hydrochloride
CID 170946748

Frequently Asked Questions

What is the IUPAC name of 2-(methyliminomethyl)prop-2-en-1-ol?
The IUPAC name of 2-(methyliminomethyl)prop-2-en-1-ol (CID 147655350) is 2-(methyliminomethyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(methyliminomethyl)prop-2-en-1-ol?
The canonical SMILES for 2-(methyliminomethyl)prop-2-en-1-ol is C=C(/C=N/C)CO.
What is the InChIKey of 2-(methyliminomethyl)prop-2-en-1-ol?
The InChIKey is GKHKQEPJJVWWDL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(4-7)3-6-2/h3,7H,1,4H2,2H3/b6-3+.
What are the key properties of 2-(methyliminomethyl)prop-2-en-1-ol?
2-(methyliminomethyl)prop-2-en-1-ol has a molecular weight of 99.13 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyliminomethyl)prop-2-en-1-ol is sourced from PubChem (CID 147655350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).