N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide

C11H10ClN3O3 — CID 6902082

IUPACN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C11H10ClN3O3/c12-9-4-1-7(5-10(9)15(17)18)6-13-14-11(16)8-2-3-8/h1,4-6,8H,2-3H2,(H,14,16)/b13-6+
InChIKeyRKFFNBHTPIORQD-AWNIVKPZSA-N
MW267.67 g/mol
LogP2.11
Rot. Bonds4

About N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 6902082) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID6902082
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C11H10ClN3O3/c12-9-4-1-7(5-10(9)15(17)18)6-13-14-11(16)8-2-3-8/h1,4-6,8H,2-3H2,(H,14,16)/b13-6+
InChIKeyRKFFNBHTPIORQD-AWNIVKPZSA-N
XLogP2.11
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide (CID 6902082) is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is RKFFNBHTPIORQD-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-9-4-1-7(5-10(9)15(17)18)6-13-14-11(16)8-2-3-8/h1,4-6,8H,2-3H2,(H,14,16)/b13-6+.
What are the key properties of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 267.67 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 6902082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).