1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea

C14H24N2O2 — CID 58375886

IUPAC1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)N(C)CC12COCC1C2)C1CC1
InChIInChI=1S/C14H24N2O2/c1-3-6-16(12-4-5-12)13(17)15(2)9-14-7-11(14)8-18-10-14/h11-12H,3-10H2,1-2H3
InChIKeyGSGSJJITVJBSOT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.95
Rot. Bonds5

About 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea

1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea (PubChem CID 58375886) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
PubChem CID58375886
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)N(C)CC12COCC1C2)C1CC1
InChIInChI=1S/C14H24N2O2/c1-3-6-16(12-4-5-12)13(17)15(2)9-14-7-11(14)8-18-10-14/h11-12H,3-10H2,1-2H3
InChIKeyGSGSJJITVJBSOT-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
CID 58376748

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea?
The IUPAC name of 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea (CID 58375886) is 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea.
What is the SMILES notation for 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea?
The canonical SMILES for 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea is CCCN(C(=O)N(C)CC12COCC1C2)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea?
The InChIKey is GSGSJJITVJBSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-16(12-4-5-12)13(17)15(2)9-14-7-11(14)8-18-10-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea?
1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea has a molecular weight of 252.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea is sourced from PubChem (CID 58375886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).