chloro carbamimidate

CH3ClN2O — CID 19087492

IUPACchloro carbamimidate
SMILES[H]/N=C(/N)OCl
InChIInChI=1S/CH3ClN2O/c2-5-1(3)4/h(H3,3,4)
InChIKeyGEHWIFLGXXQSRK-UHFFFAOYSA-N
MW94.50 g/mol
LogP0.05
Rot. Bonds

About chloro carbamimidate

chloro carbamimidate (PubChem CID 19087492) has the molecular formula CH3ClN2O and a molecular weight of 94.50 g/mol. Its IUPAC name is chloro carbamimidate.

Molecular Properties

Compound Namechloro carbamimidate
PubChem CID19087492
Molecular FormulaCH3ClN2O
Molecular Weight94.50 g/mol
Exact Mass93.99
IUPAC Namechloro carbamimidate
SMILES[H]/N=C(/N)OCl
InChIInChI=1S/CH3ClN2O/c2-5-1(3)4/h(H3,3,4)
InChIKeyGEHWIFLGXXQSRK-UHFFFAOYSA-N
XLogP0.05
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.50
LogP ≤ 50.05
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'}

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Related Compounds

cyano carbamimidate
CID 57445531
carbamimidoyl iodide;tetrachloroplumbane
CID 174746139
carbamimidoyl iodide;hydron
CID 174864753
(Z)-4-carbamimidoyloxy-4-oxobut-2-enoic acid
CID 174781461
isothiocyanato carbamimidate
CID 88817928
carbamimidoyl (1Z)-ethanehydrazonate
CID 67943615
carbamimidoyl N-aminocarbamate
CID 174816859
ethanediimidamide;trihydrochloride
CID 139639987
alumanylmethanimidamide
CID 174565420
[amino(carbamimidoyloxy)methylidene]azanium nitrate
CID 90476435
carbamimidoyl(methylidyne)azanium
CID 22416555
2,2-dichloropropanediimidamide
CID 4114057

Frequently Asked Questions

What is the IUPAC name of chloro carbamimidate?
The IUPAC name of chloro carbamimidate (CID 19087492) is chloro carbamimidate.
What is the SMILES notation for chloro carbamimidate?
The canonical SMILES for chloro carbamimidate is [H]/N=C(/N)OCl.
What is the InChIKey of chloro carbamimidate?
The InChIKey is GEHWIFLGXXQSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClN2O/c2-5-1(3)4/h(H3,3,4).
What are the key properties of chloro carbamimidate?
chloro carbamimidate has a molecular weight of 94.50 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro carbamimidate is sourced from PubChem (CID 19087492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).