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

C9H19N3O — CID 104972281

IUPAC1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
SMILESCCNC(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C9H19N3O/c1-2-10-9(13)12-7-5-8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H2,10,12,13)/t8-/m1/s1
InChIKeyJNCNSIKZMYUJKM-MRVPVSSYSA-N
MW185.27 g/mol
LogP0.45
Rot. Bonds4

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

1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea (PubChem CID 104972281) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
PubChem CID104972281
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
SMILESCCNC(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C9H19N3O/c1-2-10-9(13)12-7-5-8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H2,10,12,13)/t8-/m1/s1
InChIKeyJNCNSIKZMYUJKM-MRVPVSSYSA-N
XLogP0.45
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794049
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea (CID 104972281) is 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea is CCNC(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea?
The InChIKey is JNCNSIKZMYUJKM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-10-9(13)12-7-5-8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H2,10,12,13)/t8-/m1/s1.
What are the key properties of 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea?
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea has a molecular weight of 185.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea is sourced from PubChem (CID 104972281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).