2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine

C11H22N4O — CID 115612309

IUPAC2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCC(=O)N1CCCC1
InChIInChI=1S/C11H22N4O/c1-9(2)14-11(12)13-6-5-10(16)15-7-3-4-8-15/h9H,3-8H2,1-2H3,(H3,12,13,14)
InChIKeyPDSYBOGVUNHZPL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.31
Rot. Bonds4

About 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine

2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine (PubChem CID 115612309) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine
PubChem CID115612309
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCC(=O)N1CCCC1
InChIInChI=1S/C11H22N4O/c1-9(2)14-11(12)13-6-5-10(16)15-7-3-4-8-15/h9H,3-8H2,1-2H3,(H3,12,13,14)
InChIKeyPDSYBOGVUNHZPL-UHFFFAOYSA-N
XLogP0.31
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 115600945
3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110919216
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
1-amino-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 104888393
methyl (2S)-2-[[4-(azepan-1-yl)-4-oxobutanoyl]amino]propanoate
CID 175966410
1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054626
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine
CID 111031798
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111237031
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
1-(6-methylheptan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058307
1-(2-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054622
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833921

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine (CID 115612309) is 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CCC(=O)N1CCCC1.
What is the InChIKey of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine?
The InChIKey is PDSYBOGVUNHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(2)14-11(12)13-6-5-10(16)15-7-3-4-8-15/h9H,3-8H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine?
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine has a molecular weight of 226.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 115612309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).