pentanoic acid;urea;hydrochloride

C6H15ClN2O3 — CID 174794672

IUPACpentanoic acid;urea;hydrochloride
SMILESCCCCC(=O)O.Cl.NC(N)=O
InChIInChI=1S/C5H10O2.CH4N2O.ClH/c1-2-3-4-5(6)7;2-1(3)4;/h2-4H2,1H3,(H,6,7);(H4,2,3,4);1H
InChIKeyIJJGNKYBCYCDPL-UHFFFAOYSA-N
MW198.65 g/mol
LogP0.71
Rot. Bonds3

About pentanoic acid;urea;hydrochloride

pentanoic acid;urea;hydrochloride (PubChem CID 174794672) has the molecular formula C6H15ClN2O3 and a molecular weight of 198.65 g/mol. Its IUPAC name is pentanoic acid;urea;hydrochloride.

Molecular Properties

Compound Namepentanoic acid;urea;hydrochloride
PubChem CID174794672
Molecular FormulaC6H15ClN2O3
Molecular Weight198.65 g/mol
Exact Mass198.08
IUPAC Namepentanoic acid;urea;hydrochloride
SMILESCCCCC(=O)O.Cl.NC(N)=O
InChIInChI=1S/C5H10O2.CH4N2O.ClH/c1-2-3-4-5(6)7;2-1(3)4;/h2-4H2,1H3,(H,6,7);(H4,2,3,4);1H
InChIKeyIJJGNKYBCYCDPL-UHFFFAOYSA-N
XLogP0.71
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentanoic acid;urea;hydrochloride?
The IUPAC name of pentanoic acid;urea;hydrochloride (CID 174794672) is pentanoic acid;urea;hydrochloride.
What is the SMILES notation for pentanoic acid;urea;hydrochloride?
The canonical SMILES for pentanoic acid;urea;hydrochloride is CCCCC(=O)O.Cl.NC(N)=O.
What is the InChIKey of pentanoic acid;urea;hydrochloride?
The InChIKey is IJJGNKYBCYCDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH4N2O.ClH/c1-2-3-4-5(6)7;2-1(3)4;/h2-4H2,1H3,(H,6,7);(H4,2,3,4);1H.
What are the key properties of pentanoic acid;urea;hydrochloride?
pentanoic acid;urea;hydrochloride has a molecular weight of 198.65 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoic acid;urea;hydrochloride is sourced from PubChem (CID 174794672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).