[2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium

C9H20N2O+2 — CID 101175464

IUPAC[2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium
SMILESC=CC[NH2+]CC(O)C[NH2+]CC=C
InChIInChI=1S/C9H18N2O/c1-3-5-10-7-9(12)8-11-6-4-2/h3-4,9-12H,1-2,5-8H2/p+2
InChIKeyNZLVWYSTFRNEGZ-UHFFFAOYSA-P
MW172.27 g/mol
LogP-2.15
Rot. Bonds8

About [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium

[2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium (PubChem CID 101175464) has the molecular formula C9H20N2O+2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium
PubChem CID101175464
Molecular FormulaC9H20N2O+2
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium
SMILESC=CC[NH2+]CC(O)C[NH2+]CC=C
InChIInChI=1S/C9H18N2O/c1-3-5-10-7-9(12)8-11-6-4-2/h3-4,9-12H,1-2,5-8H2/p+2
InChIKeyNZLVWYSTFRNEGZ-UHFFFAOYSA-P
XLogP-2.15
TPSA53.45 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl)azanium tetrafluoroborate
CID 19002275
(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium
CID 20730092
azane;pent-4-en-2-ol
CID 22149561
hexa-1,5-diene;propane-1,2,3-triol
CID 91872897
(3S)-hex-5-en-3-ol
CID 10749148
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
hex-5-en-3-ol
CID 158321330
ethyl-[(2S)-3-[3-[[(2S)-3-(ethylazaniumyl)-2-hydroxypropyl]azaniumyl]propylazaniumyl]-2-hydroxypropyl]azanium tetrachloride
CID 10693501
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
tert-butylsulfanylmethyl(prop-2-enyl)azanium chloride
CID 86741048
(4R)-8-methylnon-1-en-4-ol
CID 11672703
hex-5-ene-1,3-diol
CID 15626312

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium?
The IUPAC name of [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium (CID 101175464) is [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium.
What is the SMILES notation for [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium?
The canonical SMILES for [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium is C=CC[NH2+]CC(O)C[NH2+]CC=C.
What is the InChIKey of [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium?
The InChIKey is NZLVWYSTFRNEGZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H18N2O/c1-3-5-10-7-9(12)8-11-6-4-2/h3-4,9-12H,1-2,5-8H2/p+2.
What are the key properties of [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium?
[2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium has a molecular weight of 172.27 g/mol, XLogP of -2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium is sourced from PubChem (CID 101175464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).