cyclohexene;1,1-diaminourea

C7H16N4O — CID 174496522

IUPACcyclohexene;1,1-diaminourea
SMILESC1=CCCCC1.NC(=O)N(N)N
InChIInChI=1S/C6H10.CH6N4O/c1-2-4-6-5-3-1;2-1(6)5(3)4/h1-2H,3-6H2;3-4H2,(H2,2,6)
InChIKeyAOGNQMLACJLSQO-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.23
Rot. Bonds

About cyclohexene;1,1-diaminourea

cyclohexene;1,1-diaminourea (PubChem CID 174496522) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is cyclohexene;1,1-diaminourea.

Molecular Properties

Compound Namecyclohexene;1,1-diaminourea
PubChem CID174496522
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Namecyclohexene;1,1-diaminourea
SMILESC1=CCCCC1.NC(=O)N(N)N
InChIInChI=1S/C6H10.CH6N4O/c1-2-4-6-5-3-1;2-1(6)5(3)4/h1-2H,3-6H2;3-4H2,(H2,2,6)
InChIKeyAOGNQMLACJLSQO-UHFFFAOYSA-N
XLogP0.23
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexene;1,1-diaminourea?
The IUPAC name of cyclohexene;1,1-diaminourea (CID 174496522) is cyclohexene;1,1-diaminourea.
What is the SMILES notation for cyclohexene;1,1-diaminourea?
The canonical SMILES for cyclohexene;1,1-diaminourea is C1=CCCCC1.NC(=O)N(N)N.
What is the InChIKey of cyclohexene;1,1-diaminourea?
The InChIKey is AOGNQMLACJLSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.CH6N4O/c1-2-4-6-5-3-1;2-1(6)5(3)4/h1-2H,3-6H2;3-4H2,(H2,2,6).
What are the key properties of cyclohexene;1,1-diaminourea?
cyclohexene;1,1-diaminourea has a molecular weight of 172.23 g/mol, XLogP of 0.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;1,1-diaminourea is sourced from PubChem (CID 174496522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).