2-(2-iminopyrrolidin-1-yl)ethylurea

C7H14N4O — CID 83112868

IUPAC2-(2-iminopyrrolidin-1-yl)ethylurea
SMILES[H]/N=C1\CCCN1CCNC(N)=O
InChIInChI=1S/C7H14N4O/c8-6-2-1-4-11(6)5-3-10-7(9)12/h8H,1-5H2,(H3,9,10,12)/b8-6+
InChIKeyANZQZYGNIXCLPC-SOFGYWHQSA-N
MW170.22 g/mol
LogP-0.27
Rot. Bonds3

About 2-(2-iminopyrrolidin-1-yl)ethylurea

2-(2-iminopyrrolidin-1-yl)ethylurea (PubChem CID 83112868) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)ethylurea.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)ethylurea
PubChem CID83112868
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-(2-iminopyrrolidin-1-yl)ethylurea
SMILES[H]/N=C1\CCCN1CCNC(N)=O
InChIInChI=1S/C7H14N4O/c8-6-2-1-4-11(6)5-3-10-7(9)12/h8H,1-5H2,(H3,9,10,12)/b8-6+
InChIKeyANZQZYGNIXCLPC-SOFGYWHQSA-N
XLogP-0.27
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopyrrolidin-1-yl)ethylurea?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)ethylurea (CID 83112868) is 2-(2-iminopyrrolidin-1-yl)ethylurea.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)ethylurea?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)ethylurea is [H]/N=C1\CCCN1CCNC(N)=O.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)ethylurea?
The InChIKey is ANZQZYGNIXCLPC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N4O/c8-6-2-1-4-11(6)5-3-10-7(9)12/h8H,1-5H2,(H3,9,10,12)/b8-6+.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)ethylurea?
2-(2-iminopyrrolidin-1-yl)ethylurea has a molecular weight of 170.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopyrrolidin-1-yl)ethylurea is sourced from PubChem (CID 83112868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).