(3-oxocyclohexen-1-yl)urea

C7H10N2O2 — CID 154231192

IUPAC(3-oxocyclohexen-1-yl)urea
SMILESNC(=O)NC1=CC(=O)CCC1
InChIInChI=1S/C7H10N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h4H,1-3H2,(H3,8,9,11)
InChIKeyNYVOTEXDOXBFPM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.29
Rot. Bonds1

About (3-oxocyclohexen-1-yl)urea

(3-oxocyclohexen-1-yl)urea (PubChem CID 154231192) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (3-oxocyclohexen-1-yl)urea.

Molecular Properties

Compound Name(3-oxocyclohexen-1-yl)urea
PubChem CID154231192
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(3-oxocyclohexen-1-yl)urea
SMILESNC(=O)NC1=CC(=O)CCC1
InChIInChI=1S/C7H10N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h4H,1-3H2,(H3,8,9,11)
InChIKeyNYVOTEXDOXBFPM-UHFFFAOYSA-N
XLogP0.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-oxocyclohexen-1-yl)urea?
The IUPAC name of (3-oxocyclohexen-1-yl)urea (CID 154231192) is (3-oxocyclohexen-1-yl)urea.
What is the SMILES notation for (3-oxocyclohexen-1-yl)urea?
The canonical SMILES for (3-oxocyclohexen-1-yl)urea is NC(=O)NC1=CC(=O)CCC1.
What is the InChIKey of (3-oxocyclohexen-1-yl)urea?
The InChIKey is NYVOTEXDOXBFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h4H,1-3H2,(H3,8,9,11).
What are the key properties of (3-oxocyclohexen-1-yl)urea?
(3-oxocyclohexen-1-yl)urea has a molecular weight of 154.17 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclohexen-1-yl)urea is sourced from PubChem (CID 154231192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).