pyrrolidin-3-ylurea;hydrochloride

C5H12ClN3O — CID 71757319

IUPACpyrrolidin-3-ylurea;hydrochloride
SMILESCl.NC(=O)NC1CCNC1
InChIInChI=1S/C5H11N3O.ClH/c6-5(9)8-4-1-2-7-3-4;/h4,7H,1-3H2,(H3,6,8,9);1H
InChIKeyGJIQTYBFKDIDPW-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.56
Rot. Bonds1

About pyrrolidin-3-ylurea;hydrochloride

pyrrolidin-3-ylurea;hydrochloride (PubChem CID 71757319) has the molecular formula C5H12ClN3O and a molecular weight of 165.62 g/mol. Its IUPAC name is pyrrolidin-3-ylurea;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-ylurea;hydrochloride
PubChem CID71757319
Molecular FormulaC5H12ClN3O
Molecular Weight165.62 g/mol
Exact Mass165.07
IUPAC Namepyrrolidin-3-ylurea;hydrochloride
SMILESCl.NC(=O)NC1CCNC1
InChIInChI=1S/C5H11N3O.ClH/c6-5(9)8-4-1-2-7-3-4;/h4,7H,1-3H2,(H3,6,8,9);1H
InChIKeyGJIQTYBFKDIDPW-UHFFFAOYSA-N
XLogP-0.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylurea;hydrochloride?
The IUPAC name of pyrrolidin-3-ylurea;hydrochloride (CID 71757319) is pyrrolidin-3-ylurea;hydrochloride.
What is the SMILES notation for pyrrolidin-3-ylurea;hydrochloride?
The canonical SMILES for pyrrolidin-3-ylurea;hydrochloride is Cl.NC(=O)NC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylurea;hydrochloride?
The InChIKey is GJIQTYBFKDIDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.ClH/c6-5(9)8-4-1-2-7-3-4;/h4,7H,1-3H2,(H3,6,8,9);1H.
What are the key properties of pyrrolidin-3-ylurea;hydrochloride?
pyrrolidin-3-ylurea;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of -0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylurea;hydrochloride is sourced from PubChem (CID 71757319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).