(Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine

C11H14ClN3O2 — CID 22450311

IUPAC(Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
SMILESCN/C(=C/[N+](=O)[O-])N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O2/c1-13-11(8-15(16)17)14(2)7-9-3-5-10(12)6-4-9/h3-6,8,13H,7H2,1-2H3/b11-8-
InChIKeyKCQOIYGMBPRSKB-FLIBITNWSA-N
MW255.71 g/mol
LogP2.07
Rot. Bonds5

About (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine

(Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine (PubChem CID 22450311) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
PubChem CID22450311
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name(Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
SMILESCN/C(=C/[N+](=O)[O-])N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O2/c1-13-11(8-15(16)17)14(2)7-9-3-5-10(12)6-4-9/h3-6,8,13H,7H2,1-2H3/b11-8-
InChIKeyKCQOIYGMBPRSKB-FLIBITNWSA-N
XLogP2.07
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine?
The IUPAC name of (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine (CID 22450311) is (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine.
What is the SMILES notation for (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine?
The canonical SMILES for (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine is CN/C(=C/[N+](=O)[O-])N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine?
The InChIKey is KCQOIYGMBPRSKB-FLIBITNWSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-13-11(8-15(16)17)14(2)7-9-3-5-10(12)6-4-9/h3-6,8,13H,7H2,1-2H3/b11-8-.
What are the key properties of (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine?
(Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine has a molecular weight of 255.71 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine is sourced from PubChem (CID 22450311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).