2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine

C5H10ClN5 — CID 176536925

IUPAC2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine
SMILES[H]/N=C(\N)N=C(N)N(Cl)C=CC
InChIInChI=1S/C5H10ClN5/c1-2-3-11(6)5(9)10-4(7)8/h2-3H,1H3,(H5,7,8,9,10)
InChIKeyXGPCOKDZQIUIQU-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.18
Rot. Bonds1

About 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine

2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine (PubChem CID 176536925) has the molecular formula C5H10ClN5 and a molecular weight of 175.62 g/mol. Its IUPAC name is 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine.

Molecular Properties

Compound Name2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine
PubChem CID176536925
Molecular FormulaC5H10ClN5
Molecular Weight175.62 g/mol
Exact Mass175.06
IUPAC Name2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine
SMILES[H]/N=C(\N)N=C(N)N(Cl)C=CC
InChIInChI=1S/C5H10ClN5/c1-2-3-11(6)5(9)10-4(7)8/h2-3H,1H3,(H5,7,8,9,10)
InChIKeyXGPCOKDZQIUIQU-UHFFFAOYSA-N
XLogP0.18
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1-methoxy-1-methylguanidine
CID 176522466
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
N'-carbamimidoylethanimidamide
CID 20603119
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
2-carbamimidoyl-1,1-dipentylguanidine;hydrochloride
CID 176530565
2-carbamimidoyl-1-(2-cyanoethyl)-1-methylguanidine
CID 176546720
1-tert-butyl-2-carbamimidoyl-1-propylguanidine
CID 176525603
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
2-carbamimidoyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 176546898

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine?
The IUPAC name of 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine (CID 176536925) is 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine.
What is the SMILES notation for 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine?
The canonical SMILES for 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine is [H]/N=C(\N)N=C(N)N(Cl)C=CC.
What is the InChIKey of 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine?
The InChIKey is XGPCOKDZQIUIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN5/c1-2-3-11(6)5(9)10-4(7)8/h2-3H,1H3,(H5,7,8,9,10).
What are the key properties of 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine?
2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine has a molecular weight of 175.62 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine is sourced from PubChem (CID 176536925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).