2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide

C10H10Cl2N2O2 — CID 3782037

IUPAC2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NN=Cc2ccco2)CC1(Cl)Cl
InChIInChI=1S/C10H10Cl2N2O2/c1-9(6-10(9,11)12)8(15)14-13-5-7-3-2-4-16-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUBEUWCGYNSNMKD-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.31
Rot. Bonds3

About 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide (PubChem CID 3782037) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide
PubChem CID3782037
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NN=Cc2ccco2)CC1(Cl)Cl
InChIInChI=1S/C10H10Cl2N2O2/c1-9(6-10(9,11)12)8(15)14-13-5-7-3-2-4-16-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUBEUWCGYNSNMKD-UHFFFAOYSA-N
XLogP2.31
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide (CID 3782037) is 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NN=Cc2ccco2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide?
The InChIKey is UBEUWCGYNSNMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-9(6-10(9,11)12)8(15)14-13-5-7-3-2-4-16-7/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide has a molecular weight of 261.11 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 3782037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).