(1,3-dichlorocyclohexa-2,4-dien-1-yl)urea

C7H8Cl2N2O — CID 150551382

IUPAC(1,3-dichlorocyclohexa-2,4-dien-1-yl)urea
SMILESNC(=O)NC1(Cl)C=C(Cl)C=CC1
InChIInChI=1S/C7H8Cl2N2O/c8-5-2-1-3-7(9,4-5)11-6(10)12/h1-2,4H,3H2,(H3,10,11,12)
InChIKeyIHYKDPJJVNRHGM-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.67
Rot. Bonds1

About (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea

(1,3-dichlorocyclohexa-2,4-dien-1-yl)urea (PubChem CID 150551382) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea.

Molecular Properties

Compound Name(1,3-dichlorocyclohexa-2,4-dien-1-yl)urea
PubChem CID150551382
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name(1,3-dichlorocyclohexa-2,4-dien-1-yl)urea
SMILESNC(=O)NC1(Cl)C=C(Cl)C=CC1
InChIInChI=1S/C7H8Cl2N2O/c8-5-2-1-3-7(9,4-5)11-6(10)12/h1-2,4H,3H2,(H3,10,11,12)
InChIKeyIHYKDPJJVNRHGM-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea?
The IUPAC name of (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea (CID 150551382) is (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea.
What is the SMILES notation for (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea?
The canonical SMILES for (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea is NC(=O)NC1(Cl)C=C(Cl)C=CC1.
What is the InChIKey of (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea?
The InChIKey is IHYKDPJJVNRHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c8-5-2-1-3-7(9,4-5)11-6(10)12/h1-2,4H,3H2,(H3,10,11,12).
What are the key properties of (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea?
(1,3-dichlorocyclohexa-2,4-dien-1-yl)urea has a molecular weight of 207.06 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dichlorocyclohexa-2,4-dien-1-yl)urea is sourced from PubChem (CID 150551382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).