guanidine;oxolan-2-one

C5H11N3O2 — CID 159762492

IUPACguanidine;oxolan-2-one
SMILESO=C1CCCO1.[H]N=C(N)N
InChIInChI=1S/C4H6O2.CH5N3/c5-4-2-1-3-6-4;2-1(3)4/h1-3H2;(H5,2,3,4)
InChIKeyNFBMFJUELNHPPR-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.84
Rot. Bonds

About guanidine;oxolan-2-one

guanidine;oxolan-2-one (PubChem CID 159762492) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is guanidine;oxolan-2-one.

Molecular Properties

Compound Nameguanidine;oxolan-2-one
PubChem CID159762492
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Nameguanidine;oxolan-2-one
SMILESO=C1CCCO1.[H]N=C(N)N
InChIInChI=1S/C4H6O2.CH5N3/c5-4-2-1-3-6-4;2-1(3)4/h1-3H2;(H5,2,3,4)
InChIKeyNFBMFJUELNHPPR-UHFFFAOYSA-N
XLogP-0.84
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(213C)oxolan-2-one
CID 175700736
oxolan-2-one;yttrium
CID 157257098
oxolan-2-one;silver
CID 175854718
oxolan-2-one;propane
CID 91446607
oxolan-2-one;hydrate;hydrochloride
CID 174376382
ethane-1,2-diol;ethene;oxolan-2-one
CID 67568784
oxolan-2-one;1,1,2,2-tetrachloroethene
CID 87987931
oxane-2,6-dione;oxolan-2-one
CID 87464853
1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol
CID 67349555
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052

Frequently Asked Questions

What is the IUPAC name of guanidine;oxolan-2-one?
The IUPAC name of guanidine;oxolan-2-one (CID 159762492) is guanidine;oxolan-2-one.
What is the SMILES notation for guanidine;oxolan-2-one?
The canonical SMILES for guanidine;oxolan-2-one is O=C1CCCO1.[H]N=C(N)N.
What is the InChIKey of guanidine;oxolan-2-one?
The InChIKey is NFBMFJUELNHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.CH5N3/c5-4-2-1-3-6-4;2-1(3)4/h1-3H2;(H5,2,3,4).
What are the key properties of guanidine;oxolan-2-one?
guanidine;oxolan-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;oxolan-2-one is sourced from PubChem (CID 159762492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).