N-chloroformamide;hydron

CH3ClNO+ — CID 174536545

IUPACN-chloroformamide;hydron
SMILESO=CNCl.[H+]
InChIInChI=1S/CH2ClNO/c2-3-1-4/h1H,(H,3,4)/p+1
InChIKeyNFFSTVSAHCVTMU-UHFFFAOYSA-O
MW80.49 g/mol
LogP-0.00
Rot. Bonds1

About N-chloroformamide;hydron

N-chloroformamide;hydron (PubChem CID 174536545) has the molecular formula CH3ClNO+ and a molecular weight of 80.49 g/mol. Its IUPAC name is N-chloroformamide;hydron.

Molecular Properties

Compound NameN-chloroformamide;hydron
PubChem CID174536545
Molecular FormulaCH3ClNO+
Molecular Weight80.49 g/mol
Exact Mass79.99
IUPAC NameN-chloroformamide;hydron
SMILESO=CNCl.[H+]
InChIInChI=1S/CH2ClNO/c2-3-1-4/h1H,(H,3,4)/p+1
InChIKeyNFFSTVSAHCVTMU-UHFFFAOYSA-O
XLogP-0.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.49
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloroformamide;hydron?
The IUPAC name of N-chloroformamide;hydron (CID 174536545) is N-chloroformamide;hydron.
What is the SMILES notation for N-chloroformamide;hydron?
The canonical SMILES for N-chloroformamide;hydron is O=CNCl.[H+].
What is the InChIKey of N-chloroformamide;hydron?
The InChIKey is NFFSTVSAHCVTMU-UHFFFAOYSA-O. The full InChI is InChI=1S/CH2ClNO/c2-3-1-4/h1H,(H,3,4)/p+1.
What are the key properties of N-chloroformamide;hydron?
N-chloroformamide;hydron has a molecular weight of 80.49 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloroformamide;hydron is sourced from PubChem (CID 174536545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).