1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea

C13H22N2O2 — CID 75374470

IUPAC1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NC2CC2)C12CCC2
InChIInChI=1S/C13H22N2O2/c1-2-17-11-8-10(13(11)6-3-7-13)15-12(16)14-9-4-5-9/h9-11H,2-8H2,1H3,(H2,14,15,16)
InChIKeyWASREXXQPNTLIH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.80
Rot. Bonds4

About 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea

1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (PubChem CID 75374470) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
PubChem CID75374470
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NC2CC2)C12CCC2
InChIInChI=1S/C13H22N2O2/c1-2-17-11-8-10(13(11)6-3-7-13)15-12(16)14-9-4-5-9/h9-11H,2-8H2,1H3,(H2,14,15,16)
InChIKeyWASREXXQPNTLIH-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (CID 75374470) is 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is CCOC1CC(NC(=O)NC2CC2)C12CCC2.
What is the InChIKey of 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The InChIKey is WASREXXQPNTLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-17-11-8-10(13(11)6-3-7-13)15-12(16)14-9-4-5-9/h9-11H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea has a molecular weight of 238.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is sourced from PubChem (CID 75374470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).