carbamoylurea;methylcyclohexane

C9H19N3O2 — CID 174806727

IUPACcarbamoylurea;methylcyclohexane
SMILESCC1CCCCC1.NC(=O)NC(N)=O
InChIInChI=1S/C7H14.C2H5N3O2/c1-7-5-3-2-4-6-7;3-1(6)5-2(4)7/h7H,2-6H2,1H3;(H5,3,4,5,6,7)
InChIKeyNAHHZNJSEOPVSF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.32
Rot. Bonds

About carbamoylurea;methylcyclohexane

carbamoylurea;methylcyclohexane (PubChem CID 174806727) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is carbamoylurea;methylcyclohexane.

Molecular Properties

Compound Namecarbamoylurea;methylcyclohexane
PubChem CID174806727
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Namecarbamoylurea;methylcyclohexane
SMILESCC1CCCCC1.NC(=O)NC(N)=O
InChIInChI=1S/C7H14.C2H5N3O2/c1-7-5-3-2-4-6-7;3-1(6)5-2(4)7/h7H,2-6H2,1H3;(H5,3,4,5,6,7)
InChIKeyNAHHZNJSEOPVSF-UHFFFAOYSA-N
XLogP1.32
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
tert-butyl carbamate;methylcyclohexane
CID 143641656
2-aminopropanoic acid;methylcyclohexane
CID 145362127
gallane;methylcyclohexane
CID 174461507
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
methylcyclopentane
CID 7296
tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane
CID 159674948
carboxy hydrogen carbonate;methylcyclohexane
CID 22447138
ethoxymethanethioic S-acid;methylcyclohexane
CID 142164305
cyclohexylurea;methanamine
CID 142108304

Frequently Asked Questions

What is the IUPAC name of carbamoylurea;methylcyclohexane?
The IUPAC name of carbamoylurea;methylcyclohexane (CID 174806727) is carbamoylurea;methylcyclohexane.
What is the SMILES notation for carbamoylurea;methylcyclohexane?
The canonical SMILES for carbamoylurea;methylcyclohexane is CC1CCCCC1.NC(=O)NC(N)=O.
What is the InChIKey of carbamoylurea;methylcyclohexane?
The InChIKey is NAHHZNJSEOPVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2H5N3O2/c1-7-5-3-2-4-6-7;3-1(6)5-2(4)7/h7H,2-6H2,1H3;(H5,3,4,5,6,7).
What are the key properties of carbamoylurea;methylcyclohexane?
carbamoylurea;methylcyclohexane has a molecular weight of 201.27 g/mol, XLogP of 1.32, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylurea;methylcyclohexane is sourced from PubChem (CID 174806727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).