1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

C13H19N3O — CID 20827758

IUPAC1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
SMILESCNC(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-14-13(17)15-9-11-7-8-16(10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,14,15,17)
InChIKeyLCYRUABCSDHVFH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.44
Rot. Bonds3

About 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea (PubChem CID 20827758) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
PubChem CID20827758
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
SMILESCNC(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-14-13(17)15-9-11-7-8-16(10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,14,15,17)
InChIKeyLCYRUABCSDHVFH-UHFFFAOYSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95638289
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95326935
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51084019
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94047838
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea (CID 20827758) is 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea is CNC(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?
The InChIKey is LCYRUABCSDHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-13(17)15-9-11-7-8-16(10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea has a molecular weight of 233.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 20827758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).