2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol

C10H19NO2 — CID 87784042

IUPAC2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol
SMILESC=CCNCC(CO)(CO)CC=C
InChIInChI=1S/C10H19NO2/c1-3-5-10(8-12,9-13)7-11-6-4-2/h3-4,11-13H,1-2,5-9H2
InChIKeyPITYEJDIGGXJFN-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.31
Rot. Bonds8

About 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol

2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol (PubChem CID 87784042) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol
PubChem CID87784042
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol
SMILESC=CCNCC(CO)(CO)CC=C
InChIInChI=1S/C10H19NO2/c1-3-5-10(8-12,9-13)7-11-6-4-2/h3-4,11-13H,1-2,5-9H2
InChIKeyPITYEJDIGGXJFN-UHFFFAOYSA-N
XLogP0.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol?
The IUPAC name of 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol (CID 87784042) is 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol.
What is the SMILES notation for 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol?
The canonical SMILES for 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol is C=CCNCC(CO)(CO)CC=C.
What is the InChIKey of 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol?
The InChIKey is PITYEJDIGGXJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-10(8-12,9-13)7-11-6-4-2/h3-4,11-13H,1-2,5-9H2.
What are the key properties of 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol?
2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol has a molecular weight of 185.27 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol is sourced from PubChem (CID 87784042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).