1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea

C10H21N3O — CID 115590502

IUPAC1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESCCNC(=O)NC(C)CN1CCCC1
InChIInChI=1S/C10H21N3O/c1-3-11-10(14)12-9(2)8-13-6-4-5-7-13/h9H,3-8H2,1-2H3,(H2,11,12,14)
InChIKeyXRGQQJJZCMSDCZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds4

About 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea

1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea (PubChem CID 115590502) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
PubChem CID115590502
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESCCNC(=O)NC(C)CN1CCCC1
InChIInChI=1S/C10H21N3O/c1-3-11-10(14)12-9(2)8-13-6-4-5-7-13/h9H,3-8H2,1-2H3,(H2,11,12,14)
InChIKeyXRGQQJJZCMSDCZ-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
(2S)-3-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475973
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566478
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473966
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
(2S)-2-hydroxy-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838972
(2S)-2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566498
(2S)-4-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475849

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea (CID 115590502) is 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea is CCNC(=O)NC(C)CN1CCCC1.
What is the InChIKey of 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea?
The InChIKey is XRGQQJJZCMSDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-11-10(14)12-9(2)8-13-6-4-5-7-13/h9H,3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea?
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea has a molecular weight of 199.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 115590502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).