dihydroxy(propyl)azanium

C3H10NO2+ — CID 20565200

IUPACdihydroxy(propyl)azanium
SMILESCCC[NH+](O)O
InChIInChI=1S/C3H9NO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3/p+1
InChIKeyDNWSSZXZTVMPKC-UHFFFAOYSA-O
MW92.12 g/mol
LogP-0.94
Rot. Bonds2

About dihydroxy(propyl)azanium

dihydroxy(propyl)azanium (PubChem CID 20565200) has the molecular formula C3H10NO2+ and a molecular weight of 92.12 g/mol. Its IUPAC name is dihydroxy(propyl)azanium.

Molecular Properties

Compound Namedihydroxy(propyl)azanium
PubChem CID20565200
Molecular FormulaC3H10NO2+
Molecular Weight92.12 g/mol
Exact Mass92.07
IUPAC Namedihydroxy(propyl)azanium
SMILESCCC[NH+](O)O
InChIInChI=1S/C3H9NO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3/p+1
InChIKeyDNWSSZXZTVMPKC-UHFFFAOYSA-O
XLogP-0.94
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.12
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 21226530
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CID 12355438
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CID 17807311
CID 17807311
CID 18475177
CID 18475177
CID 20233574
CID 20233574
CID 20565203
CID 20565203
CID 20810566
CID 20810566
CID 22114439
CID 22114439
CID 23455912
CID 23455912
CID 23455914
CID 23455914
CID 59617763
CID 59617763

Frequently Asked Questions

What is the IUPAC name of dihydroxy(propyl)azanium?
The IUPAC name of dihydroxy(propyl)azanium (CID 20565200) is dihydroxy(propyl)azanium.
What is the SMILES notation for dihydroxy(propyl)azanium?
The canonical SMILES for dihydroxy(propyl)azanium is CCC[NH+](O)O.
What is the InChIKey of dihydroxy(propyl)azanium?
The InChIKey is DNWSSZXZTVMPKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3/p+1.
What are the key properties of dihydroxy(propyl)azanium?
dihydroxy(propyl)azanium has a molecular weight of 92.12 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(propyl)azanium is sourced from PubChem (CID 20565200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).