cyclohexane;1H-pyrimidin-2-one

C10H16N2O — CID 155579057

IUPACcyclohexane;1H-pyrimidin-2-one
SMILESC1CCCCC1.O=c1nccc[nH]1
InChIInChI=1S/C6H12.C4H4N2O/c1-2-4-6-5-3-1;7-4-5-2-1-3-6-4/h1-6H2;1-3H,(H,5,6,7)
InChIKeyBHQOGESHXSPQAE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds

About cyclohexane;1H-pyrimidin-2-one

cyclohexane;1H-pyrimidin-2-one (PubChem CID 155579057) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclohexane;1H-pyrimidin-2-one.

Molecular Properties

Compound Namecyclohexane;1H-pyrimidin-2-one
PubChem CID155579057
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecyclohexane;1H-pyrimidin-2-one
SMILESC1CCCCC1.O=c1nccc[nH]1
InChIInChI=1S/C6H12.C4H4N2O/c1-2-4-6-5-3-1;7-4-5-2-1-3-6-4/h1-6H2;1-3H,(H,5,6,7)
InChIKeyBHQOGESHXSPQAE-UHFFFAOYSA-N
XLogP2.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;1H-pyrimidin-2-one?
The IUPAC name of cyclohexane;1H-pyrimidin-2-one (CID 155579057) is cyclohexane;1H-pyrimidin-2-one.
What is the SMILES notation for cyclohexane;1H-pyrimidin-2-one?
The canonical SMILES for cyclohexane;1H-pyrimidin-2-one is C1CCCCC1.O=c1nccc[nH]1.
What is the InChIKey of cyclohexane;1H-pyrimidin-2-one?
The InChIKey is BHQOGESHXSPQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H4N2O/c1-2-4-6-5-3-1;7-4-5-2-1-3-6-4/h1-6H2;1-3H,(H,5,6,7).
What are the key properties of cyclohexane;1H-pyrimidin-2-one?
cyclohexane;1H-pyrimidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1H-pyrimidin-2-one is sourced from PubChem (CID 155579057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).