1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea

C13H22N2O2 — CID 58376236

IUPAC1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1C2COCC12)C1CC1
InChIInChI=1S/C13H22N2O2/c1-2-5-15(9-3-4-9)13(16)14-6-10-11-7-17-8-12(10)11/h9-12H,2-8H2,1H3,(H,14,16)
InChIKeySIWGGXGNGKGBPK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds5

About 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea

1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea (PubChem CID 58376236) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea
PubChem CID58376236
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1C2COCC12)C1CC1
InChIInChI=1S/C13H22N2O2/c1-2-5-15(9-3-4-9)13(16)14-6-10-11-7-17-8-12(10)11/h9-12H,2-8H2,1H3,(H,14,16)
InChIKeySIWGGXGNGKGBPK-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N-methyl-N-[(oxan-4-yl)methyl]urea
CID 110752124
1-Cyclopropyl-3-(6-oxaspiro[2.5]octan-2-yl)-1-propylurea
CID 58376204
1-Cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea
CID 58376710
1-Cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea
CID 58376748
1-Cyclopropyl-3-[1-(4-methyloxan-4-yl)ethyl]-1-propylurea
CID 68254495
N-butyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 113245472
1-Cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea
CID 141152218
1-Cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-1-propylurea;1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea
CID 143814203
1-(1-Cyclopropylethyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 60463279
1-Cyclopropyl-1-(3-methylpentan-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 72110989
1-Methyl-1-(oxan-4-ylmethyl)-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 75496817
1-Cyclopropyl-3-[3-(4-methylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
CID 78885890

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea?
The IUPAC name of 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea (CID 58376236) is 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea.
What is the SMILES notation for 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea?
The canonical SMILES for 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea is CCCN(C(=O)NCC1C2COCC12)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea?
The InChIKey is SIWGGXGNGKGBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-5-15(9-3-4-9)13(16)14-6-10-11-7-17-8-12(10)11/h9-12H,2-8H2,1H3,(H,14,16).
What are the key properties of 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea?
1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea has a molecular weight of 238.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1-propylurea is sourced from PubChem (CID 58376236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).