1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea

C9H19N3O — CID 59568945

IUPAC1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-7(2)10-9(13)11-8-4-5-12(3)6-8/h7-8H,4-6H2,1-3H3,(H2,10,11,13)/t8-/m1/s1
InChIKeyZKNAINGPJAIFJS-MRVPVSSYSA-N
MW185.27 g/mol
LogP0.40
Rot. Bonds2

About 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea

1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 59568945) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID59568945
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-7(2)10-9(13)11-8-4-5-12(3)6-8/h7-8H,4-6H2,1-3H3,(H2,10,11,13)/t8-/m1/s1
InChIKeyZKNAINGPJAIFJS-MRVPVSSYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea (CID 59568945) is 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@@H]1CCN(C)C1.
What is the InChIKey of 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is ZKNAINGPJAIFJS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)10-9(13)11-8-4-5-12(3)6-8/h7-8H,4-6H2,1-3H3,(H2,10,11,13)/t8-/m1/s1.
What are the key properties of 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea?
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea has a molecular weight of 185.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 59568945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).