(2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine

C10H18ClNO — CID 11672896

IUPAC(2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine
SMILESC=CCN1C[C@@H](OC)[C@H]1C(C)(C)Cl
InChIInChI=1S/C10H18ClNO/c1-5-6-12-7-8(13-4)9(12)10(2,3)11/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m1/s1
InChIKeyWYIGPKNZRVLQRB-BDAKNGLRSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds4

About (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine

(2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine (PubChem CID 11672896) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine.

Molecular Properties

Compound Name(2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine
PubChem CID11672896
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name(2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine
SMILESC=CCN1C[C@@H](OC)[C@H]1C(C)(C)Cl
InChIInChI=1S/C10H18ClNO/c1-5-6-12-7-8(13-4)9(12)10(2,3)11/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m1/s1
InChIKeyWYIGPKNZRVLQRB-BDAKNGLRSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine?
The IUPAC name of (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine (CID 11672896) is (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine.
What is the SMILES notation for (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine?
The canonical SMILES for (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine is C=CCN1C[C@@H](OC)[C@H]1C(C)(C)Cl.
What is the InChIKey of (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine?
The InChIKey is WYIGPKNZRVLQRB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-5-6-12-7-8(13-4)9(12)10(2,3)11/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine?
(2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine has a molecular weight of 203.71 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidine is sourced from PubChem (CID 11672896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).