2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine

C4H9ClN4 — CID 176918094

IUPAC2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine
SMILESC/C(N=C(N)N)=C(/N)Cl
InChIInChI=1S/C4H9ClN4/c1-2(3(5)6)9-4(7)8/h6H2,1H3,(H4,7,8,9)/b3-2-
InChIKeyOUEYWAGRTBHCBP-IHWYPQMZSA-N
MW148.60 g/mol
LogP-0.35
Rot. Bonds1

About 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine

2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine (PubChem CID 176918094) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine.

Molecular Properties

Compound Name2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine
PubChem CID176918094
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine
SMILESC/C(N=C(N)N)=C(/N)Cl
InChIInChI=1S/C4H9ClN4/c1-2(3(5)6)9-4(7)8/h6H2,1H3,(H4,7,8,9)/b3-2-
InChIKeyOUEYWAGRTBHCBP-IHWYPQMZSA-N
XLogP-0.35
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-3-aminobut-2-en-2-yl]carbamimidoyl chloride
CID 165133909
N'-[(E)-1-amino-1-chloroprop-1-en-2-yl]carbamimidoyl chloride
CID 176917980

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine?
The IUPAC name of 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine (CID 176918094) is 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine.
What is the SMILES notation for 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine?
The canonical SMILES for 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine is C/C(N=C(N)N)=C(/N)Cl.
What is the InChIKey of 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine?
The InChIKey is OUEYWAGRTBHCBP-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H9ClN4/c1-2(3(5)6)9-4(7)8/h6H2,1H3,(H4,7,8,9)/b3-2-.
What are the key properties of 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine?
2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine has a molecular weight of 148.60 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-amino-1-chloroprop-1-en-2-yl]guanidine is sourced from PubChem (CID 176918094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).