1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea

C12H23N3O — CID 59286134

IUPAC1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea
SMILESCN(C[C@H]1CCCN1C1CCCC1)C(N)=O
InChIInChI=1S/C12H23N3O/c1-14(12(13)16)9-11-7-4-8-15(11)10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H2,13,16)/t11-/m1/s1
InChIKeyWFFJVFKIZOCJAJ-LLVKDONJSA-N
MW225.34 g/mol
LogP1.40
Rot. Bonds3

About 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea

1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea (PubChem CID 59286134) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea
PubChem CID59286134
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea
SMILESCN(C[C@H]1CCCN1C1CCCC1)C(N)=O
InChIInChI=1S/C12H23N3O/c1-14(12(13)16)9-11-7-4-8-15(11)10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H2,13,16)/t11-/m1/s1
InChIKeyWFFJVFKIZOCJAJ-LLVKDONJSA-N
XLogP1.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopentylpyrrolidin-2-yl)methyl]-N-cyclopropylacetamide
CID 128992622
2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane
CID 173136750
1-(1-cyclohexylpyrrolidin-2-yl)propan-2-one
CID 79546496
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
1-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentane-1-carboxamide
CID 79650768
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
2-(1-cyclopentylpyrrolidin-2-yl)ethanamine
CID 73440122
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethyl N,N-dimethylcarbamate;O-methylhydroxylamine
CID 168906581
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one
CID 79642697
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea?
The IUPAC name of 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea (CID 59286134) is 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea.
What is the SMILES notation for 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea?
The canonical SMILES for 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea is CN(C[C@H]1CCCN1C1CCCC1)C(N)=O.
What is the InChIKey of 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea?
The InChIKey is WFFJVFKIZOCJAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(12(13)16)9-11-7-4-8-15(11)10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H2,13,16)/t11-/m1/s1.
What are the key properties of 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea?
1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea has a molecular weight of 225.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methyl]-1-methylurea is sourced from PubChem (CID 59286134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).