3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea

C10H20N2O2 — CID 56790977

IUPAC3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)NC1CC1)C(C)C
InChIInChI=1S/C10H20N2O2/c1-7(2)12(6-8(3)13)10(14)11-9-4-5-9/h7-9,13H,4-6H2,1-3H3,(H,11,14)
InChIKeyUONFAGIAHSRVFJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.95
Rot. Bonds4

About 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea

3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 56790977) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea
PubChem CID56790977
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)NC1CC1)C(C)C
InChIInChI=1S/C10H20N2O2/c1-7(2)12(6-8(3)13)10(14)11-9-4-5-9/h7-9,13H,4-6H2,1-3H3,(H,11,14)
InChIKeyUONFAGIAHSRVFJ-UHFFFAOYSA-N
XLogP0.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea (CID 56790977) is 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea is CC(O)CN(C(=O)NC1CC1)C(C)C.
What is the InChIKey of 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is UONFAGIAHSRVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)12(6-8(3)13)10(14)11-9-4-5-9/h7-9,13H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea?
3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 200.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 56790977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).