1-ethenyl-1-hydroxyguanidine;hydrochloride

C3H8ClN3O — CID 174443893

IUPAC1-ethenyl-1-hydroxyguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(O)C=C
InChIInChI=1S/C3H7N3O.ClH/c1-2-6(7)3(4)5;/h2,7H,1H2,(H3,4,5);1H
InChIKeyGSRKTVVLIXSFOX-UHFFFAOYSA-N
MW137.57 g/mol
LogP0.14
Rot. Bonds1

About 1-ethenyl-1-hydroxyguanidine;hydrochloride

1-ethenyl-1-hydroxyguanidine;hydrochloride (PubChem CID 174443893) has the molecular formula C3H8ClN3O and a molecular weight of 137.57 g/mol. Its IUPAC name is 1-ethenyl-1-hydroxyguanidine;hydrochloride.

Molecular Properties

Compound Name1-ethenyl-1-hydroxyguanidine;hydrochloride
PubChem CID174443893
Molecular FormulaC3H8ClN3O
Molecular Weight137.57 g/mol
Exact Mass137.04
IUPAC Name1-ethenyl-1-hydroxyguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(O)C=C
InChIInChI=1S/C3H7N3O.ClH/c1-2-6(7)3(4)5;/h2,7H,1H2,(H3,4,5);1H
InChIKeyGSRKTVVLIXSFOX-UHFFFAOYSA-N
XLogP0.14
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(ethenyl)guanidine
CID 174821814
1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine
CID 88754158
2-[carbamimidoyl(prop-2-enyl)amino]acetyl chloride
CID 88833013
1-carbamimidoyl-1-hex-5-en-2-ylguanidine;hydrochloride
CID 24839367
1-prop-2-enyl-1-prop-2-enylsulfonylguanidine
CID 174278110
1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride
CID 173440460
1-(ethylideneamino)-1-methylguanidine;hydrochloride
CID 129017623
1-(diaminomethylideneamino)-1-prop-2-enylguanidine
CID 91460470
2-[carbamimidoyl(methyl)amino]but-3-enoic acid
CID 175022605
2-[carbamimidoyl(methyl)amino]-2-phosphonobut-3-enoic acid
CID 175022354
azane;1-methylideneguanidine;hydrochloride
CID 174872522
1-iodo-1-methylguanidine
CID 174838872

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-hydroxyguanidine;hydrochloride?
The IUPAC name of 1-ethenyl-1-hydroxyguanidine;hydrochloride (CID 174443893) is 1-ethenyl-1-hydroxyguanidine;hydrochloride.
What is the SMILES notation for 1-ethenyl-1-hydroxyguanidine;hydrochloride?
The canonical SMILES for 1-ethenyl-1-hydroxyguanidine;hydrochloride is Cl.[H]/N=C(\N)N(O)C=C.
What is the InChIKey of 1-ethenyl-1-hydroxyguanidine;hydrochloride?
The InChIKey is GSRKTVVLIXSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O.ClH/c1-2-6(7)3(4)5;/h2,7H,1H2,(H3,4,5);1H.
What are the key properties of 1-ethenyl-1-hydroxyguanidine;hydrochloride?
1-ethenyl-1-hydroxyguanidine;hydrochloride has a molecular weight of 137.57 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-hydroxyguanidine;hydrochloride is sourced from PubChem (CID 174443893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).