2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine

C11H13ClN4 — CID 5351877

IUPAC2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H13ClN4/c12-9-5-3-8(4-6-9)10(7-1-2-7)15-16-11(13)14/h3-7H,1-2H2,(H4,13,14,16)/b15-10-
InChIKeySBTASMGULLVIOA-GDNBJRDFSA-N
MW236.71 g/mol
LogP1.73
Rot. Bonds3

About 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine

2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine (PubChem CID 5351877) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine
PubChem CID5351877
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H13ClN4/c12-9-5-3-8(4-6-9)10(7-1-2-7)15-16-11(13)14/h3-7H,1-2H2,(H4,13,14,16)/b15-10-
InChIKeySBTASMGULLVIOA-GDNBJRDFSA-N
XLogP1.73
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine (CID 5351877) is 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine is NC(N)=N/N=C(\c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine?
The InChIKey is SBTASMGULLVIOA-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-9-5-3-8(4-6-9)10(7-1-2-7)15-16-11(13)14/h3-7H,1-2H2,(H4,13,14,16)/b15-10-.
What are the key properties of 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine?
2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine has a molecular weight of 236.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]guanidine is sourced from PubChem (CID 5351877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).