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

C14H24N2O2 — CID 75494432

IUPAC1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea
SMILESCCOC1CC(NC(=O)N(C)C2CC2)C12CCC2
InChIInChI=1S/C14H24N2O2/c1-3-18-12-9-11(14(12)7-4-8-14)15-13(17)16(2)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyOSPLJFIVMHXOPP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.14
Rot. Bonds4

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

1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea (PubChem CID 75494432) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea
PubChem CID75494432
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea
SMILESCCOC1CC(NC(=O)N(C)C2CC2)C12CCC2
InChIInChI=1S/C14H24N2O2/c1-3-18-12-9-11(14(12)7-4-8-14)15-13(17)16(2)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyOSPLJFIVMHXOPP-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
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)-1-methylurea?
The IUPAC name of 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea (CID 75494432) is 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea.
What is the SMILES notation for 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea?
The canonical SMILES for 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea is CCOC1CC(NC(=O)N(C)C2CC2)C12CCC2.
What is the InChIKey of 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea?
The InChIKey is OSPLJFIVMHXOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-18-12-9-11(14(12)7-4-8-14)15-13(17)16(2)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea?
1-cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methylurea has a molecular weight of 252.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 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)-1-methylurea is sourced from PubChem (CID 75494432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).