(2-ethylhex-2-enylideneamino)urea

C9H17N3O — CID 566224

IUPAC(2-ethylhex-2-enylideneamino)urea
SMILESCCCC=C(C=NNC(N)=O)CC
InChIInChI=1S/C9H17N3O/c1-3-5-6-8(4-2)7-11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)
InChIKeyWNXTULHDTKBSMO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.78
Rot. Bonds5

About (2-ethylhex-2-enylideneamino)urea

(2-ethylhex-2-enylideneamino)urea (PubChem CID 566224) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2-ethylhex-2-enylideneamino)urea.

Molecular Properties

Compound Name(2-ethylhex-2-enylideneamino)urea
PubChem CID566224
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2-ethylhex-2-enylideneamino)urea
SMILESCCCC=C(C=NNC(N)=O)CC
InChIInChI=1S/C9H17N3O/c1-3-5-6-8(4-2)7-11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)
InChIKeyWNXTULHDTKBSMO-UHFFFAOYSA-N
XLogP1.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylhex-2-enylideneamino)urea?
The IUPAC name of (2-ethylhex-2-enylideneamino)urea (CID 566224) is (2-ethylhex-2-enylideneamino)urea.
What is the SMILES notation for (2-ethylhex-2-enylideneamino)urea?
The canonical SMILES for (2-ethylhex-2-enylideneamino)urea is CCCC=C(C=NNC(N)=O)CC.
What is the InChIKey of (2-ethylhex-2-enylideneamino)urea?
The InChIKey is WNXTULHDTKBSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-5-6-8(4-2)7-11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13).
What are the key properties of (2-ethylhex-2-enylideneamino)urea?
(2-ethylhex-2-enylideneamino)urea has a molecular weight of 183.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylhex-2-enylideneamino)urea is sourced from PubChem (CID 566224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).