1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea

C9H16N2O3 — CID 103847259

IUPAC1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea
SMILESO=C(NCC1(O)CCOC1)NC1CC1
InChIInChI=1S/C9H16N2O3/c12-8(11-7-1-2-7)10-5-9(13)3-4-14-6-9/h7,13H,1-6H2,(H2,10,11,12)
InChIKeyCZIREWOPYGRGBI-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.40
Rot. Bonds3

About 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea

1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea (PubChem CID 103847259) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea
PubChem CID103847259
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea
SMILESO=C(NCC1(O)CCOC1)NC1CC1
InChIInChI=1S/C9H16N2O3/c12-8(11-7-1-2-7)10-5-9(13)3-4-14-6-9/h7,13H,1-6H2,(H2,10,11,12)
InChIKeyCZIREWOPYGRGBI-UHFFFAOYSA-N
XLogP-0.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea (CID 103847259) is 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea is O=C(NCC1(O)CCOC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The InChIKey is CZIREWOPYGRGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(11-7-1-2-7)10-5-9(13)3-4-14-6-9/h7,13H,1-6H2,(H2,10,11,12).
What are the key properties of 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea has a molecular weight of 200.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea is sourced from PubChem (CID 103847259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).