3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride

C6H12ClNO — CID 173396788

IUPAC3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride
SMILESC=CCNCC(=C)O.Cl
InChIInChI=1S/C6H11NO.ClH/c1-3-4-7-5-6(2)8;/h3,7-8H,1-2,4-5H2;1H
InChIKeyAPBJFDSIPVUODZ-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.26
Rot. Bonds4

About 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride

3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride (PubChem CID 173396788) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride
PubChem CID173396788
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride
SMILESC=CCNCC(=C)O.Cl
InChIInChI=1S/C6H11NO.ClH/c1-3-4-7-5-6(2)8;/h3,7-8H,1-2,4-5H2;1H
InChIKeyAPBJFDSIPVUODZ-UHFFFAOYSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
N-prop-2-enyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine;hydrochloride
CID 146155084
sodium;hydride;N-prop-2-enylprop-2-en-1-amine
CID 173095987
2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79279874
1-(prop-2-enylamino)but-3-yn-2-one
CID 116589784
1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
CID 67437631
N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide
CID 79278936
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
2-(prop-2-enylamino)acetic acid;pyrimidine
CID 67804683
2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 106108807
N,N-diethyl-2-(prop-2-enylamino)acetamide
CID 28563292

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride?
The IUPAC name of 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride (CID 173396788) is 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride.
What is the SMILES notation for 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride?
The canonical SMILES for 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride is C=CCNCC(=C)O.Cl.
What is the InChIKey of 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride?
The InChIKey is APBJFDSIPVUODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-3-4-7-5-6(2)8;/h3,7-8H,1-2,4-5H2;1H.
What are the key properties of 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride?
3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride is sourced from PubChem (CID 173396788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).