ethanol;pyrrolidin-2-one;urea

C7H17N3O3 — CID 159448698

IUPACethanol;pyrrolidin-2-one;urea
SMILESCCO.NC(N)=O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H6O.CH4N2O/c6-4-2-1-3-5-4;1-2-3;2-1(3)4/h1-3H2,(H,5,6);3H,2H2,1H3;(H4,2,3,4)
InChIKeyLTBWWADVPRWCEN-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.08
Rot. Bonds

About ethanol;pyrrolidin-2-one;urea

ethanol;pyrrolidin-2-one;urea (PubChem CID 159448698) has the molecular formula C7H17N3O3 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethanol;pyrrolidin-2-one;urea.

Molecular Properties

Compound Nameethanol;pyrrolidin-2-one;urea
PubChem CID159448698
Molecular FormulaC7H17N3O3
Molecular Weight191.23 g/mol
Exact Mass191.13
IUPAC Nameethanol;pyrrolidin-2-one;urea
SMILESCCO.NC(N)=O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H6O.CH4N2O/c6-4-2-1-3-5-4;1-2-3;2-1(3)4/h1-3H2,(H,5,6);3H,2H2,1H3;(H4,2,3,4)
InChIKeyLTBWWADVPRWCEN-UHFFFAOYSA-N
XLogP-1.08
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;pyrrolidin-2-one;urea?
The IUPAC name of ethanol;pyrrolidin-2-one;urea (CID 159448698) is ethanol;pyrrolidin-2-one;urea.
What is the SMILES notation for ethanol;pyrrolidin-2-one;urea?
The canonical SMILES for ethanol;pyrrolidin-2-one;urea is CCO.NC(N)=O.O=C1CCCN1.
What is the InChIKey of ethanol;pyrrolidin-2-one;urea?
The InChIKey is LTBWWADVPRWCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H6O.CH4N2O/c6-4-2-1-3-5-4;1-2-3;2-1(3)4/h1-3H2,(H,5,6);3H,2H2,1H3;(H4,2,3,4).
What are the key properties of ethanol;pyrrolidin-2-one;urea?
ethanol;pyrrolidin-2-one;urea has a molecular weight of 191.23 g/mol, XLogP of -1.08, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;pyrrolidin-2-one;urea is sourced from PubChem (CID 159448698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).