3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea

C12H23N3O2 — CID 43596816

IUPAC3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea
SMILESCN(C(=O)NC1CCCCC1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C12H23N3O2/c1-15(10-7-13-8-11(10)16)12(17)14-9-5-3-2-4-6-9/h9-11,13,16H,2-8H2,1H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyZISYWNWTTZRLMK-GHMZBOCLSA-N
MW241.33 g/mol
LogP0.29
Rot. Bonds2

About 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea

3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea (PubChem CID 43596816) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea
PubChem CID43596816
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea
SMILESCN(C(=O)NC1CCCCC1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C12H23N3O2/c1-15(10-7-13-8-11(10)16)12(17)14-9-5-3-2-4-6-9/h9-11,13,16H,2-8H2,1H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyZISYWNWTTZRLMK-GHMZBOCLSA-N
XLogP0.29
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea?
The IUPAC name of 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea (CID 43596816) is 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea.
What is the SMILES notation for 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea?
The canonical SMILES for 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea is CN(C(=O)NC1CCCCC1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea?
The InChIKey is ZISYWNWTTZRLMK-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15(10-7-13-8-11(10)16)12(17)14-9-5-3-2-4-6-9/h9-11,13,16H,2-8H2,1H3,(H,14,17)/t10-,11-/m1/s1.
What are the key properties of 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea?
3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea has a molecular weight of 241.33 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea is sourced from PubChem (CID 43596816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).