[1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea

C10H17N3O — CID 4191464

IUPAC[1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea
SMILESCC1=CCCCC1C(C)=NNC(N)=O
InChIInChI=1S/C10H17N3O/c1-7-5-3-4-6-9(7)8(2)12-13-10(11)14/h5,9H,3-4,6H2,1-2H3,(H3,11,13,14)
InChIKeyWFIODWHLCXPNDG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.78
Rot. Bonds2

About [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea

[1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea (PubChem CID 4191464) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea
PubChem CID4191464
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea
SMILESCC1=CCCCC1C(C)=NNC(N)=O
InChIInChI=1S/C10H17N3O/c1-7-5-3-4-6-9(7)8(2)12-13-10(11)14/h5,9H,3-4,6H2,1-2H3,(H3,11,13,14)
InChIKeyWFIODWHLCXPNDG-UHFFFAOYSA-N
XLogP1.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea?
The IUPAC name of [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea (CID 4191464) is [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea.
What is the SMILES notation for [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea?
The canonical SMILES for [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea is CC1=CCCCC1C(C)=NNC(N)=O.
What is the InChIKey of [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea?
The InChIKey is WFIODWHLCXPNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-5-3-4-6-9(7)8(2)12-13-10(11)14/h5,9H,3-4,6H2,1-2H3,(H3,11,13,14).
What are the key properties of [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea?
[1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea has a molecular weight of 195.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylcyclohex-2-en-1-yl)ethylideneamino]urea is sourced from PubChem (CID 4191464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).