2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine

C11H10Cl2N4 — CID 163705815

IUPAC2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine
SMILESCC(N=C(N)N)=C(C#N)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N4/c1-6(17-11(15)16)7(5-14)10-8(12)3-2-4-9(10)13/h2-4H,1H3,(H4,15,16,17)
InChIKeyKEZKVQUELRWWGY-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.52
Rot. Bonds2

About 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine

2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine (PubChem CID 163705815) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine.

Molecular Properties

Compound Name2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine
PubChem CID163705815
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine
SMILESCC(N=C(N)N)=C(C#N)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N4/c1-6(17-11(15)16)7(5-14)10-8(12)3-2-4-9(10)13/h2-4H,1H3,(H4,15,16,17)
InChIKeyKEZKVQUELRWWGY-UHFFFAOYSA-N
XLogP2.52
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-3-(2,6-dichlorophenyl)-2-methylprop-2-enenitrile
CID 134891620
(2E)-2-(2,6-dichlorophenyl)-2-hydroxyiminoacetonitrile
CID 24997859
(E)-3-(2,6-dichlorophenyl)but-2-enenitrile
CID 166114555
2-(3-chloro-2-methylphenyl)guanidine
CID 45496576
2,6-dichlorobenzamide;hydrochloride
CID 172775002
(2Z)-2-[amino-(2-chlorophenyl)methylidene]-3-oxobutanenitrile
CID 134988769
1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
CID 2730227
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
(2Z)-2-[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]-3-oxobutanenitrile
CID 22302089
2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide
CID 123209700
N'-[(Z)-[amino-(2-bromo-6-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide
CID 129204019
2-(3-chloro-2-fluorophenyl)-3-cyano-N-(diaminomethylidene)-6-hydroxybenzamide
CID 146508033

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine?
The IUPAC name of 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine (CID 163705815) is 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine.
What is the SMILES notation for 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine?
The canonical SMILES for 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine is CC(N=C(N)N)=C(C#N)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine?
The InChIKey is KEZKVQUELRWWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-6(17-11(15)16)7(5-14)10-8(12)3-2-4-9(10)13/h2-4H,1H3,(H4,15,16,17).
What are the key properties of 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine?
2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine has a molecular weight of 269.14 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyano-1-(2,6-dichlorophenyl)prop-1-en-2-yl]guanidine is sourced from PubChem (CID 163705815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).