1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea

C9H19N3O — CID 99919601

IUPAC1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
SMILESCNC(=O)NCC[C@H]1CCCN1C
InChIInChI=1S/C9H19N3O/c1-10-9(13)11-6-5-8-4-3-7-12(8)2/h8H,3-7H2,1-2H3,(H2,10,11,13)/t8-/m1/s1
InChIKeyCFIQSNSIYADIPR-MRVPVSSYSA-N
MW185.27 g/mol
LogP0.40
Rot. Bonds3

About 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea

1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea (PubChem CID 99919601) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
PubChem CID99919601
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
SMILESCNC(=O)NCC[C@H]1CCCN1C
InChIInChI=1S/C9H19N3O/c1-10-9(13)11-6-5-8-4-3-7-12(8)2/h8H,3-7H2,1-2H3,(H2,10,11,13)/t8-/m1/s1
InChIKeyCFIQSNSIYADIPR-MRVPVSSYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
1-(4-chloro-2-fluorophenyl)-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 72890023
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 72857196
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 125169332
(5E,8E,11E,14E,17E)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 10295188
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 70023388
2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
CID 141361912
1-[2-fluoro-5-(methanesulfonamido)phenyl]-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 125168777

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea?
The IUPAC name of 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea (CID 99919601) is 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea is CNC(=O)NCC[C@H]1CCCN1C.
What is the InChIKey of 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea?
The InChIKey is CFIQSNSIYADIPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10-9(13)11-6-5-8-4-3-7-12(8)2/h8H,3-7H2,1-2H3,(H2,10,11,13)/t8-/m1/s1.
What are the key properties of 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea?
1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea has a molecular weight of 185.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea is sourced from PubChem (CID 99919601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).