cyclopropyl N'-methylcarbamimidate

C5H10N2O — CID 144698838

IUPACcyclopropyl N'-methylcarbamimidate
SMILESC/N=C(\N)OC1CC1
InChIInChI=1S/C5H10N2O/c1-7-5(6)8-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyRKCHOPOQHQIYFQ-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.11
Rot. Bonds1

About cyclopropyl N'-methylcarbamimidate

cyclopropyl N'-methylcarbamimidate (PubChem CID 144698838) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is cyclopropyl N'-methylcarbamimidate.

Molecular Properties

Compound Namecyclopropyl N'-methylcarbamimidate
PubChem CID144698838
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Namecyclopropyl N'-methylcarbamimidate
SMILESC/N=C(\N)OC1CC1
InChIInChI=1S/C5H10N2O/c1-7-5(6)8-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyRKCHOPOQHQIYFQ-UHFFFAOYSA-N
XLogP0.11
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N'-methylcarbamimidate?
The IUPAC name of cyclopropyl N'-methylcarbamimidate (CID 144698838) is cyclopropyl N'-methylcarbamimidate.
What is the SMILES notation for cyclopropyl N'-methylcarbamimidate?
The canonical SMILES for cyclopropyl N'-methylcarbamimidate is C/N=C(\N)OC1CC1.
What is the InChIKey of cyclopropyl N'-methylcarbamimidate?
The InChIKey is RKCHOPOQHQIYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-5(6)8-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7).
What are the key properties of cyclopropyl N'-methylcarbamimidate?
cyclopropyl N'-methylcarbamimidate has a molecular weight of 114.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N'-methylcarbamimidate is sourced from PubChem (CID 144698838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).