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

C5H10N2O — CID 153241132

IUPAC3-amino-2-(methyliminomethyl)prop-2-en-1-ol
SMILESC/N=C/C(=CN)CO
InChIInChI=1S/C5H10N2O/c1-7-3-5(2-6)4-8/h2-3,8H,4,6H2,1H3/b5-2?,7-3+
InChIKeyRVTFVSUZORQBIB-INJRZPBLSA-N
MW114.15 g/mol
LogP-0.48
Rot. Bonds2

About 3-amino-2-(methyliminomethyl)prop-2-en-1-ol

3-amino-2-(methyliminomethyl)prop-2-en-1-ol (PubChem CID 153241132) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-amino-2-(methyliminomethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-amino-2-(methyliminomethyl)prop-2-en-1-ol
PubChem CID153241132
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-amino-2-(methyliminomethyl)prop-2-en-1-ol
SMILESC/N=C/C(=CN)CO
InChIInChI=1S/C5H10N2O/c1-7-3-5(2-6)4-8/h2-3,8H,4,6H2,1H3/b5-2?,7-3+
InChIKeyRVTFVSUZORQBIB-INJRZPBLSA-N
XLogP-0.48
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-amino-2-(methyliminomethyl)prop-2-en-1-ol?
The IUPAC name of 3-amino-2-(methyliminomethyl)prop-2-en-1-ol (CID 153241132) is 3-amino-2-(methyliminomethyl)prop-2-en-1-ol.
What is the SMILES notation for 3-amino-2-(methyliminomethyl)prop-2-en-1-ol?
The canonical SMILES for 3-amino-2-(methyliminomethyl)prop-2-en-1-ol is C/N=C/C(=CN)CO.
What is the InChIKey of 3-amino-2-(methyliminomethyl)prop-2-en-1-ol?
The InChIKey is RVTFVSUZORQBIB-INJRZPBLSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-3-5(2-6)4-8/h2-3,8H,4,6H2,1H3/b5-2?,7-3+.
What are the key properties of 3-amino-2-(methyliminomethyl)prop-2-en-1-ol?
3-amino-2-(methyliminomethyl)prop-2-en-1-ol has a molecular weight of 114.15 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(methyliminomethyl)prop-2-en-1-ol is sourced from PubChem (CID 153241132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).