1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine

C11H20N4O — CID 115600945

IUPAC1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
SMILESN/C(=N\CCC(=O)N1CCCC1)NC1CC1
InChIInChI=1S/C11H20N4O/c12-11(14-9-3-4-9)13-6-5-10(16)15-7-1-2-8-15/h9H,1-8H2,(H3,12,13,14)
InChIKeyMWPMWUKMIFJXMK-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.07
Rot. Bonds4

About 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine

1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 115600945) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID115600945
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
SMILESN/C(=N\CCC(=O)N1CCCC1)NC1CC1
InChIInChI=1S/C11H20N4O/c12-11(14-9-3-4-9)13-6-5-10(16)15-7-1-2-8-15/h9H,1-8H2,(H3,12,13,14)
InChIKeyMWPMWUKMIFJXMK-UHFFFAOYSA-N
XLogP0.07
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.07
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-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040239
1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine
CID 115612309
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
[1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]urea
CID 71861034
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide
CID 62363981
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine (CID 115600945) is 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine is N/C(=N\CCC(=O)N1CCCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is MWPMWUKMIFJXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-11(14-9-3-4-9)13-6-5-10(16)15-7-1-2-8-15/h9H,1-8H2,(H3,12,13,14).
What are the key properties of 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine?
1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 224.31 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 115600945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).