3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol

C6H12N2O2 — CID 173452764

IUPAC3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol
SMILESNC=CCNCC=C(O)O
InChIInChI=1S/C6H12N2O2/c7-3-1-4-8-5-2-6(9)10/h1-3,8-10H,4-5,7H2
InChIKeyNELPBNOGKWCXFV-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.01
Rot. Bonds4

About 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol

3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol (PubChem CID 173452764) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol.

Molecular Properties

Compound Name3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol
PubChem CID173452764
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol
SMILESNC=CCNCC=C(O)O
InChIInChI=1S/C6H12N2O2/c7-3-1-4-8-5-2-6(9)10/h1-3,8-10H,4-5,7H2
InChIKeyNELPBNOGKWCXFV-UHFFFAOYSA-N
XLogP0.01
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol?
The IUPAC name of 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol (CID 173452764) is 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol.
What is the SMILES notation for 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol?
The canonical SMILES for 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol is NC=CCNCC=C(O)O.
What is the InChIKey of 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol?
The InChIKey is NELPBNOGKWCXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-1-4-8-5-2-6(9)10/h1-3,8-10H,4-5,7H2.
What are the key properties of 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol?
3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol has a molecular weight of 144.17 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-2-enylamino)prop-1-ene-1,1-diol is sourced from PubChem (CID 173452764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).