(E)-pyrrolidin-1-ylmethylideneurea

C6H11N3O — CID 13213305

IUPAC(E)-pyrrolidin-1-ylmethylideneurea
SMILESNC(=O)/N=C/N1CCCC1
InChIInChI=1S/C6H11N3O/c7-6(10)8-5-9-3-1-2-4-9/h5H,1-4H2,(H2,7,10)/b8-5+
InChIKeyFINNDAVBRDUHKF-VMPITWQZSA-N
MW141.17 g/mol
LogP0.19
Rot. Bonds1

About (E)-pyrrolidin-1-ylmethylideneurea

(E)-pyrrolidin-1-ylmethylideneurea (PubChem CID 13213305) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (E)-pyrrolidin-1-ylmethylideneurea.

Molecular Properties

Compound Name(E)-pyrrolidin-1-ylmethylideneurea
PubChem CID13213305
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(E)-pyrrolidin-1-ylmethylideneurea
SMILESNC(=O)/N=C/N1CCCC1
InChIInChI=1S/C6H11N3O/c7-6(10)8-5-9-3-1-2-4-9/h5H,1-4H2,(H2,7,10)/b8-5+
InChIKeyFINNDAVBRDUHKF-VMPITWQZSA-N
XLogP0.19
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-pyrrolidin-1-ylmethylideneurea?
The IUPAC name of (E)-pyrrolidin-1-ylmethylideneurea (CID 13213305) is (E)-pyrrolidin-1-ylmethylideneurea.
What is the SMILES notation for (E)-pyrrolidin-1-ylmethylideneurea?
The canonical SMILES for (E)-pyrrolidin-1-ylmethylideneurea is NC(=O)/N=C/N1CCCC1.
What is the InChIKey of (E)-pyrrolidin-1-ylmethylideneurea?
The InChIKey is FINNDAVBRDUHKF-VMPITWQZSA-N. The full InChI is InChI=1S/C6H11N3O/c7-6(10)8-5-9-3-1-2-4-9/h5H,1-4H2,(H2,7,10)/b8-5+.
What are the key properties of (E)-pyrrolidin-1-ylmethylideneurea?
(E)-pyrrolidin-1-ylmethylideneurea has a molecular weight of 141.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pyrrolidin-1-ylmethylideneurea is sourced from PubChem (CID 13213305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).