pyrrolidin-1-ylurea;hydrate

C5H13N3O2 — CID 141393036

IUPACpyrrolidin-1-ylurea;hydrate
SMILESNC(=O)NN1CCCC1.O
InChIInChI=1S/C5H11N3O.H2O/c6-5(9)7-8-3-1-2-4-8;/h1-4H2,(H3,6,7,9);1H2
InChIKeyPTWKEXYQYYEQKP-UHFFFAOYSA-N
MW147.18 g/mol
LogP-1.16
Rot. Bonds1

About pyrrolidin-1-ylurea;hydrate

pyrrolidin-1-ylurea;hydrate (PubChem CID 141393036) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is pyrrolidin-1-ylurea;hydrate.

Molecular Properties

Compound Namepyrrolidin-1-ylurea;hydrate
PubChem CID141393036
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Namepyrrolidin-1-ylurea;hydrate
SMILESNC(=O)NN1CCCC1.O
InChIInChI=1S/C5H11N3O.H2O/c6-5(9)7-8-3-1-2-4-8;/h1-4H2,(H3,6,7,9);1H2
InChIKeyPTWKEXYQYYEQKP-UHFFFAOYSA-N
XLogP-1.16
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dipyrrolidin-1-ylurea
CID 140976479
sodium;carbamothioic S-acid;hydride;pyrrolidin-1-ylcarbamothioic S-acid
CID 173274602
N-pyrrolidin-1-ylacetamide
CID 22023174
sodium;carbamothioic S-acid;hydride;piperidin-1-ylcarbamothioic S-acid
CID 173214577
N-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 130685357
carbamodithioic acid;pyrrolidin-1-ylcarbamodithioic acid
CID 87109326
2-cyano-1-pyrrolidin-1-ylguanidine
CID 174836086
aminomethyl N-piperidin-1-ylcarbamate
CID 154351217
2-hydroxy-N-piperidin-1-ylacetamide
CID 11480586
N-(azetidin-1-yl)acetamide
CID 54074158
1-amino-N-piperidin-1-ylcyclobutane-1-carboxamide
CID 83022067
(2-oxoazepan-1-yl)urea
CID 67625281

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ylurea;hydrate?
The IUPAC name of pyrrolidin-1-ylurea;hydrate (CID 141393036) is pyrrolidin-1-ylurea;hydrate.
What is the SMILES notation for pyrrolidin-1-ylurea;hydrate?
The canonical SMILES for pyrrolidin-1-ylurea;hydrate is NC(=O)NN1CCCC1.O.
What is the InChIKey of pyrrolidin-1-ylurea;hydrate?
The InChIKey is PTWKEXYQYYEQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.H2O/c6-5(9)7-8-3-1-2-4-8;/h1-4H2,(H3,6,7,9);1H2.
What are the key properties of pyrrolidin-1-ylurea;hydrate?
pyrrolidin-1-ylurea;hydrate has a molecular weight of 147.18 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ylurea;hydrate is sourced from PubChem (CID 141393036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).