1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea

C6H10Cl2N2O — CID 130708392

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea
SMILESCNC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C6H10Cl2N2O/c1-9-5(11)10-3-4-2-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyOBRGXQYUCNSPPN-UHFFFAOYSA-N
MW197.06 g/mol
LogP1.11
Rot. Bonds2

About 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea

1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea (PubChem CID 130708392) has the molecular formula C6H10Cl2N2O and a molecular weight of 197.06 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea
PubChem CID130708392
Molecular FormulaC6H10Cl2N2O
Molecular Weight197.06 g/mol
Exact Mass196.02
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea
SMILESCNC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C6H10Cl2N2O/c1-9-5(11)10-3-4-2-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyOBRGXQYUCNSPPN-UHFFFAOYSA-N
XLogP1.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea (CID 130708392) is 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea is CNC(=O)NCC1CC1(Cl)Cl.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea?
The InChIKey is OBRGXQYUCNSPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2N2O/c1-9-5(11)10-3-4-2-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea?
1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea has a molecular weight of 197.06 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-3-methylurea is sourced from PubChem (CID 130708392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).