2-pyrrolidin-1-ylpropylurea

C8H17N3O — CID 112728366

IUPAC2-pyrrolidin-1-ylpropylurea
SMILESCC(CNC(N)=O)N1CCCC1
InChIInChI=1S/C8H17N3O/c1-7(6-10-8(9)12)11-4-2-3-5-11/h7H,2-6H2,1H3,(H3,9,10,12)
InChIKeyJRJDPAAHXYURIL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds3

About 2-pyrrolidin-1-ylpropylurea

2-pyrrolidin-1-ylpropylurea (PubChem CID 112728366) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpropylurea.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpropylurea
PubChem CID112728366
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-pyrrolidin-1-ylpropylurea
SMILESCC(CNC(N)=O)N1CCCC1
InChIInChI=1S/C8H17N3O/c1-7(6-10-8(9)12)11-4-2-3-5-11/h7H,2-6H2,1H3,(H3,9,10,12)
InChIKeyJRJDPAAHXYURIL-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371
2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107570261
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
CID 61173580
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
CID 104569665
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
CID 103159150

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpropylurea?
The IUPAC name of 2-pyrrolidin-1-ylpropylurea (CID 112728366) is 2-pyrrolidin-1-ylpropylurea.
What is the SMILES notation for 2-pyrrolidin-1-ylpropylurea?
The canonical SMILES for 2-pyrrolidin-1-ylpropylurea is CC(CNC(N)=O)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpropylurea?
The InChIKey is JRJDPAAHXYURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(6-10-8(9)12)11-4-2-3-5-11/h7H,2-6H2,1H3,(H3,9,10,12).
What are the key properties of 2-pyrrolidin-1-ylpropylurea?
2-pyrrolidin-1-ylpropylurea has a molecular weight of 171.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpropylurea is sourced from PubChem (CID 112728366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).