(Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine

C12H12ClN3O2 — CID 176710999

IUPAC(Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine
SMILESN/C=C(\C=N\c1c(Cl)cccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H12ClN3O2/c13-10-2-1-3-11(16(17)18)12(10)15-7-9(6-14)8-4-5-8/h1-3,6-8H,4-5,14H2/b9-6+,15-7+
InChIKeyJUOBSKOYCRDDRT-FSXBYJQJSA-N
MW265.70 g/mol
LogP3.20
Rot. Bonds4

About (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine

(Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine (PubChem CID 176710999) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine
PubChem CID176710999
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name(Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine
SMILESN/C=C(\C=N\c1c(Cl)cccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H12ClN3O2/c13-10-2-1-3-11(16(17)18)12(10)15-7-9(6-14)8-4-5-8/h1-3,6-8H,4-5,14H2/b9-6+,15-7+
InChIKeyJUOBSKOYCRDDRT-FSXBYJQJSA-N
XLogP3.20
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.20
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 (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine?
The IUPAC name of (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine (CID 176710999) is (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine is N/C=C(\C=N\c1c(Cl)cccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine?
The InChIKey is JUOBSKOYCRDDRT-FSXBYJQJSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-10-2-1-3-11(16(17)18)12(10)15-7-9(6-14)8-4-5-8/h1-3,6-8H,4-5,14H2/b9-6+,15-7+.
What are the key properties of (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine?
(Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine has a molecular weight of 265.70 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloro-6-nitrophenyl)imino-2-cyclopropylprop-1-en-1-amine is sourced from PubChem (CID 176710999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).