(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one

C7H11NO — CID 55303809

IUPAC(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one
SMILESC=CC[C@@H]1NC(=O)[C@@H]1C
InChIInChI=1S/C7H11NO/c1-3-4-6-5(2)7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6+/m1/s1
InChIKeyWTTPHGXMVNBRLZ-RITPCOANSA-N
MW125.17 g/mol
LogP0.70
Rot. Bonds2

About (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one

(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one (PubChem CID 55303809) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one
PubChem CID55303809
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one
SMILESC=CC[C@@H]1NC(=O)[C@@H]1C
InChIInChI=1S/C7H11NO/c1-3-4-6-5(2)7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6+/m1/s1
InChIKeyWTTPHGXMVNBRLZ-RITPCOANSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one (CID 55303809) is (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one is C=CC[C@@H]1NC(=O)[C@@H]1C.
What is the InChIKey of (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one?
The InChIKey is WTTPHGXMVNBRLZ-RITPCOANSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-6-5(2)7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one?
(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one is sourced from PubChem (CID 55303809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).