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

C11H23N3O — CID 115590520

IUPAC1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESCCCNC(=O)NC(C)CN1CCCC1
InChIInChI=1S/C11H23N3O/c1-3-6-12-11(15)13-10(2)9-14-7-4-5-8-14/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyFNCZFTSLLDLDIR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds5

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

1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea (PubChem CID 115590520) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
PubChem CID115590520
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESCCCNC(=O)NC(C)CN1CCCC1
InChIInChI=1S/C11H23N3O/c1-3-6-12-11(15)13-10(2)9-14-7-4-5-8-14/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyFNCZFTSLLDLDIR-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
(2S)-2-hydroxy-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838972
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473889
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566478
(2S)-3-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475973
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
(2S)-2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566498
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 111504674

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea (CID 115590520) is 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea is CCCNC(=O)NC(C)CN1CCCC1.
What is the InChIKey of 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea?
The InChIKey is FNCZFTSLLDLDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-6-12-11(15)13-10(2)9-14-7-4-5-8-14/h10H,3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea?
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 115590520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).