N-chlorocyclobutanamine;hydrate

C4H10ClNO — CID 142755504

IUPACN-chlorocyclobutanamine;hydrate
SMILESClNC1CCC1.O
InChIInChI=1S/C4H8ClN.H2O/c5-6-4-2-1-3-4;/h4,6H,1-3H2;1H2
InChIKeyWRXMAEVCYACJPI-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.46
Rot. Bonds1

About N-chlorocyclobutanamine;hydrate

N-chlorocyclobutanamine;hydrate (PubChem CID 142755504) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is N-chlorocyclobutanamine;hydrate.

Molecular Properties

Compound NameN-chlorocyclobutanamine;hydrate
PubChem CID142755504
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC NameN-chlorocyclobutanamine;hydrate
SMILESClNC1CCC1.O
InChIInChI=1S/C4H8ClN.H2O/c5-6-4-2-1-3-4;/h4,6H,1-3H2;1H2
InChIKeyWRXMAEVCYACJPI-UHFFFAOYSA-N
XLogP0.46
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclobutylazanium chloride
CID 53422273
N-cyclobutylhydroxylamine hydrochloride
CID 141324435
Cyclobutanamine, hydrochloride (1:1)
CID 12618374
N-Cyclobutylhypochlorous amide
CID 14143514
Cyclobutanamine;dihydrochloride
CID 69167848
Cyclobutanamine;dihydrate;dihydrochloride
CID 141148758
1-N-chlorocyclobutane-1,3-diamine
CID 176668492

Frequently Asked Questions

What is the IUPAC name of N-chlorocyclobutanamine;hydrate?
The IUPAC name of N-chlorocyclobutanamine;hydrate (CID 142755504) is N-chlorocyclobutanamine;hydrate.
What is the SMILES notation for N-chlorocyclobutanamine;hydrate?
The canonical SMILES for N-chlorocyclobutanamine;hydrate is ClNC1CCC1.O.
What is the InChIKey of N-chlorocyclobutanamine;hydrate?
The InChIKey is WRXMAEVCYACJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN.H2O/c5-6-4-2-1-3-4;/h4,6H,1-3H2;1H2.
What are the key properties of N-chlorocyclobutanamine;hydrate?
N-chlorocyclobutanamine;hydrate has a molecular weight of 123.58 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chlorocyclobutanamine;hydrate is sourced from PubChem (CID 142755504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).