2-chlorooxolan-3-amine

C4H8ClNO — CID 142661454

IUPAC2-chlorooxolan-3-amine
SMILESNC1CCOC1Cl
InChIInChI=1S/C4H8ClNO/c5-4-3(6)1-2-7-4/h3-4H,1-2,6H2
InChIKeyRTGJDBOZXUDKMX-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.30
Rot. Bonds

About 2-chlorooxolan-3-amine

2-chlorooxolan-3-amine (PubChem CID 142661454) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is 2-chlorooxolan-3-amine.

Molecular Properties

Compound Name2-chlorooxolan-3-amine
PubChem CID142661454
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Name2-chlorooxolan-3-amine
SMILESNC1CCOC1Cl
InChIInChI=1S/C4H8ClNO/c5-4-3(6)1-2-7-4/h3-4H,1-2,6H2
InChIKeyRTGJDBOZXUDKMX-UHFFFAOYSA-N
XLogP0.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichlorooxolane
CID 19025
(3R)-2-methoxyoxolan-3-amine
CID 121422095
(2S,3S)-2-ethyloxolan-3-amine
CID 124511863
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
CID 82418057
2-(oxan-4-yl)oxolan-3-amine
CID 79365317
3-aminooxolane-2-carboxylic acid
CID 53421314
(2S,3R)-3-aminooxolane-2-carboxamide
CID 131378832
(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
CID 170912384
2-(3-chlorophenyl)oxolan-3-amine
CID 79364588
2-(4-cyclopropylphenyl)oxolan-3-amine
CID 79978303
2-butyloxolan-3-amine
CID 79365227
(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 97302678

Frequently Asked Questions

What is the IUPAC name of 2-chlorooxolan-3-amine?
The IUPAC name of 2-chlorooxolan-3-amine (CID 142661454) is 2-chlorooxolan-3-amine.
What is the SMILES notation for 2-chlorooxolan-3-amine?
The canonical SMILES for 2-chlorooxolan-3-amine is NC1CCOC1Cl.
What is the InChIKey of 2-chlorooxolan-3-amine?
The InChIKey is RTGJDBOZXUDKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO/c5-4-3(6)1-2-7-4/h3-4H,1-2,6H2.
What are the key properties of 2-chlorooxolan-3-amine?
2-chlorooxolan-3-amine has a molecular weight of 121.57 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorooxolan-3-amine is sourced from PubChem (CID 142661454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).