1-chloro-2-methylazetidine

C4H8ClN — CID 535514

IUPAC1-chloro-2-methylazetidine
SMILESCC1CCN1Cl
InChIInChI=1S/C4H8ClN/c1-4-2-3-6(4)5/h4H,2-3H2,1H3
InChIKeyJRKGWBAJEBHPGD-UHFFFAOYSA-N
MW105.57 g/mol
LogP1.23
Rot. Bonds

About 1-chloro-2-methylazetidine

1-chloro-2-methylazetidine (PubChem CID 535514) has the molecular formula C4H8ClN and a molecular weight of 105.57 g/mol. Its IUPAC name is 1-chloro-2-methylazetidine.

Molecular Properties

Compound Name1-chloro-2-methylazetidine
PubChem CID535514
Molecular FormulaC4H8ClN
Molecular Weight105.57 g/mol
Exact Mass105.03
IUPAC Name1-chloro-2-methylazetidine
SMILESCC1CCN1Cl
InChIInChI=1S/C4H8ClN/c1-4-2-3-6(4)5/h4H,2-3H2,1H3
InChIKeyJRKGWBAJEBHPGD-UHFFFAOYSA-N
XLogP1.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.57
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethylazetidine
CID 287983
Azetidine, 2-methyl-1-(1-methylethyl)-
CID 287982
(2S)-1,2-dimethylazetidine
CID 90700177
(2S)-1,1,2-trimethylazetidin-1-ium
CID 134861978
(2S)-1-chloro-2-methylazetidine
CID 100918411
(2R)-1-bromo-2-methylazetidine
CID 134925898
N-Bromo-2-methylazetidine
CID 535651
1-Ethyl-2-methylazetidine
CID 12231139
2-Methyl-azanidacyclobutane;praseodymium
CID 59089874
1,2-Dimethylazetidine;hydrochloride
CID 67508905
2-Methyl-1-propylazetidine
CID 90212998
1,1,2-Trimethylazetidin-1-ium
CID 91609075

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylazetidine?
The IUPAC name of 1-chloro-2-methylazetidine (CID 535514) is 1-chloro-2-methylazetidine.
What is the SMILES notation for 1-chloro-2-methylazetidine?
The canonical SMILES for 1-chloro-2-methylazetidine is CC1CCN1Cl.
What is the InChIKey of 1-chloro-2-methylazetidine?
The InChIKey is JRKGWBAJEBHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN/c1-4-2-3-6(4)5/h4H,2-3H2,1H3.
What are the key properties of 1-chloro-2-methylazetidine?
1-chloro-2-methylazetidine has a molecular weight of 105.57 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylazetidine is sourced from PubChem (CID 535514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).